N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide

C27H33ClN4O3 — CID 167042207

IUPACN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCC(NC4COC4)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C27H33ClN4O3/c1-16-11-23(28)22(26(33)30-16)12-29-27(34)25-17(2)32(24-6-4-3-5-21(24)25)13-18-7-9-19(10-8-18)31-20-14-35-15-20/h3-6,11,18-20,31H,7-10,12-15H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyFIUWLBREDARGHL-UHFFFAOYSA-N
MW497.04 g/mol
LogP4.08
Rot. Bonds7

About N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide (PubChem CID 167042207) has the molecular formula C27H33ClN4O3 and a molecular weight of 497.04 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide
PubChem CID167042207
Molecular FormulaC27H33ClN4O3
Molecular Weight497.04 g/mol
Exact Mass496.22
IUPAC NameN-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide
SMILESCc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCC(NC4COC4)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C27H33ClN4O3/c1-16-11-23(28)22(26(33)30-16)12-29-27(34)25-17(2)32(24-6-4-3-5-21(24)25)13-18-7-9-19(10-8-18)31-20-14-35-15-20/h3-6,11,18-20,31H,7-10,12-15H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyFIUWLBREDARGHL-UHFFFAOYSA-N
XLogP4.08
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide with MolForge

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Related Compounds

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
CID 144791505
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1-ethylsulfinylpiperidin-4-yl)methyl]-2-methylindole-3-carboxamide
CID 144791405
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 123890542
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]methyl]-2-methylindole-3-carboxamide
CID 167042244
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide
CID 144791528
ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate
CID 126639379
1-[[1-(3,3-difluorocyclobutyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791400
1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791463
1-[[1-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791429
1-[[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791435
1-[(3,5-difluoro-1-methylpiperidin-4-yl)methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144791389
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 123202495

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide?
The IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide (CID 167042207) is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide is Cc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCC(NC4COC4)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide?
The InChIKey is FIUWLBREDARGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O3/c1-16-11-23(28)22(26(33)30-16)12-29-27(34)25-17(2)32(24-6-4-3-5-21(24)25)13-18-7-9-19(10-8-18)31-20-14-35-15-20/h3-6,11,18-20,31H,7-10,12-15H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide?
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide has a molecular weight of 497.04 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 167042207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).