N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C20H26N4O5 — CID 146044965

IUPACN-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3oc(C)nc3C)C2)cc1=O
InChIInChI=1S/C20H26N4O5/c1-11-18(29-12(2)23-11)20(27)22-9-13-5-4-6-14(7-13)24-19(26)15-8-16(25)17(28-3)10-21-15/h8,10,13-14H,4-7,9H2,1-3H3,(H,21,25)(H,22,27)(H,24,26)/t13-,14+/m1/s1
InChIKeyYNTOHQLTJWITFA-KGLIPLIRSA-N
MW402.45 g/mol
LogP1.71
Rot. Bonds6

About N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 146044965) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID146044965
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC NameN-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3oc(C)nc3C)C2)cc1=O
InChIInChI=1S/C20H26N4O5/c1-11-18(29-12(2)23-11)20(27)22-9-13-5-4-6-14(7-13)24-19(26)15-8-16(25)17(28-3)10-21-15/h8,10,13-14H,4-7,9H2,1-3H3,(H,21,25)(H,22,27)(H,24,26)/t13-,14+/m1/s1
InChIKeyYNTOHQLTJWITFA-KGLIPLIRSA-N
XLogP1.71
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655
5-methoxy-N-(3-methoxypropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 71692302
2,4-dimethyl-N-(3-methylcyclopentyl)-1,3-oxazole-5-carboxamide
CID 114550016
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-(cyclobutylmethylsulfonyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 154789593
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 146044965) is N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](CNC(=O)c3oc(C)nc3C)C2)cc1=O.
What is the InChIKey of N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YNTOHQLTJWITFA-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-11-18(29-12(2)23-11)20(27)22-9-13-5-4-6-14(7-13)24-19(26)15-8-16(25)17(28-3)10-21-15/h8,10,13-14H,4-7,9H2,1-3H3,(H,21,25)(H,22,27)(H,24,26)/t13-,14+/m1/s1.
What are the key properties of N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-3-[(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 146044965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).