5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide

C22H30ClN5O2 — CID 56552218

IUPAC5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n1
InChIInChI=1S/C22H30ClN5O2/c1-3-28(4-2)22-25-14-19(23)20(26-22)21(30)24-13-16-5-7-17(8-6-16)15-27-11-9-18(29)10-12-27/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H,24,30)
InChIKeyJGUNFTWOIANTPD-UHFFFAOYSA-N
MW431.97 g/mol
LogP2.86
Rot. Bonds8

About 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 56552218) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID56552218
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n1
InChIInChI=1S/C22H30ClN5O2/c1-3-28(4-2)22-25-14-19(23)20(26-22)21(30)24-13-16-5-7-17(8-6-16)15-27-11-9-18(29)10-12-27/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H,24,30)
InChIKeyJGUNFTWOIANTPD-UHFFFAOYSA-N
XLogP2.86
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
5-chloro-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46473976
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
5-chloro-2-(diethylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrimidine-4-carboxamide
CID 48680399
5-chloro-N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51940380
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 56551997
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
CID 56552112
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56552121
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide (CID 56552218) is 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is JGUNFTWOIANTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c1-3-28(4-2)22-25-14-19(23)20(26-22)21(30)24-13-16-5-7-17(8-6-16)15-27-11-9-18(29)10-12-27/h5-8,14,18,29H,3-4,9-13,15H2,1-2H3,(H,24,30).
What are the key properties of 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 431.97 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56552218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).