N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide

C19H28N4O4 — CID 72937225

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnc(OC)c2)CN1C1CCOCC1
InChIInChI=1S/C19H28N4O4/c1-3-20-19(25)16-11-14(12-23(16)15-5-8-27-9-6-15)22-18(24)13-4-7-21-17(10-13)26-2/h4,7,10,14-16H,3,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,22,24)/t14-,16-/m0/s1
InChIKeyBACKTRZXQPBGOC-HOCLYGCPSA-N
MW376.46 g/mol
LogP0.58
Rot. Bonds6

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide (PubChem CID 72937225) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
PubChem CID72937225
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnc(OC)c2)CN1C1CCOCC1
InChIInChI=1S/C19H28N4O4/c1-3-20-19(25)16-11-14(12-23(16)15-5-8-27-9-6-15)22-18(24)13-4-7-21-17(10-13)26-2/h4,7,10,14-16H,3,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,22,24)/t14-,16-/m0/s1
InChIKeyBACKTRZXQPBGOC-HOCLYGCPSA-N
XLogP0.58
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72880705
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72879381
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95214166
N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 156606450
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methoxypyridine-4-carboxamide
CID 155498454
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methoxypyridine-4-carboxamide
CID 154818971
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 74231149

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide (CID 72937225) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnc(OC)c2)CN1C1CCOCC1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide?
The InChIKey is BACKTRZXQPBGOC-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-20-19(25)16-11-14(12-23(16)15-5-8-27-9-6-15)22-18(24)13-4-7-21-17(10-13)26-2/h4,7,10,14-16H,3,5-6,8-9,11-12H2,1-2H3,(H,20,25)(H,22,24)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 72937225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).