N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C18H29N3O3 — CID 126463944

IUPACN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C18H29N3O3/c1-13(2)21(3)11-14-7-8-15(17(23)20-14)16(22)19-12-18(24)9-5-4-6-10-18/h7-8,13,24H,4-6,9-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJTINJVDRZMJUIW-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.64
Rot. Bonds6

About N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126463944) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126463944
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C18H29N3O3/c1-13(2)21(3)11-14-7-8-15(17(23)20-14)16(22)19-12-18(24)9-5-4-6-10-18/h7-8,13,24H,4-6,9-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJTINJVDRZMJUIW-UHFFFAOYSA-N
XLogP1.64
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56856974
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126463944) is N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)N(C)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JTINJVDRZMJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)21(3)11-14-7-8-15(17(23)20-14)16(22)19-12-18(24)9-5-4-6-10-18/h7-8,13,24H,4-6,9-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126463944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).