5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride

C32H47Cl3N4O7 — CID 158782605

IUPAC5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1c(Cl)cc(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c(=O)n1C(C)C.Cc1c(Cl)cc(C(=O)O)c(=O)n1C(C)C.Cl
InChIInChI=1S/C22H34ClN3O4.C10H12ClNO3.ClH/c1-15(2)26-16(3)19(23)12-18(21(26)28)20(27)24-13-17-4-8-25(9-5-17)14-22(29)6-10-30-11-7-22;1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15;/h12,15,17,29H,4-11,13-14H2,1-3H3,(H,24,27);4-5H,1-3H3,(H,14,15);1H
InChIKeyRTTDNZLZIMPIEV-UHFFFAOYSA-N
MW706.11 g/mol
LogP4.89
Rot. Bonds8

About 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride

5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 158782605) has the molecular formula C32H47Cl3N4O7 and a molecular weight of 706.11 g/mol. Its IUPAC name is 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride
PubChem CID158782605
Molecular FormulaC32H47Cl3N4O7
Molecular Weight706.11 g/mol
Exact Mass704.25
IUPAC Name5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1c(Cl)cc(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c(=O)n1C(C)C.Cc1c(Cl)cc(C(=O)O)c(=O)n1C(C)C.Cl
InChIInChI=1S/C22H34ClN3O4.C10H12ClNO3.ClH/c1-15(2)26-16(3)19(23)12-18(21(26)28)20(27)24-13-17-4-8-25(9-5-17)14-22(29)6-10-30-11-7-22;1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15;/h12,15,17,29H,4-11,13-14H2,1-3H3,(H,24,27);4-5H,1-3H3,(H,14,15);1H
InChIKeyRTTDNZLZIMPIEV-UHFFFAOYSA-N
XLogP4.89
TPSA143.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.11
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 59428183
6-fluoro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 11166796
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methylcarbamoyl]formamide
CID 143009976
5-fluoro-3-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-1-propan-2-ylbenzimidazol-2-one
CID 150025514
4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate
CID 159589918
5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 59822463
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
4-[[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542073
tert-butyl 4-[[4-[[(5-methyl-2-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 59822474
6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 95228503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride (CID 158782605) is 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride is Cc1c(Cl)cc(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c(=O)n1C(C)C.Cc1c(Cl)cc(C(=O)O)c(=O)n1C(C)C.Cl.
What is the InChIKey of 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is RTTDNZLZIMPIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O4.C10H12ClNO3.ClH/c1-15(2)26-16(3)19(23)12-18(21(26)28)20(27)24-13-17-4-8-25(9-5-17)14-22(29)6-10-30-11-7-22;1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15;/h12,15,17,29H,4-11,13-14H2,1-3H3,(H,24,27);4-5H,1-3H3,(H,14,15);1H.
What are the key properties of 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride?
5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 706.11 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxamide;5-chloro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 158782605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).