N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C24H32N4O3 — CID 4988764

IUPACN-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(OC)cc1
InChIInChI=1S/C24H32N4O3/c1-5-24(2,3)26-22(29)17-28(19-9-11-20(31-4)12-10-19)23(30)18-8-13-21(25-16-18)27-14-6-7-15-27/h8-13,16H,5-7,14-15,17H2,1-4H3,(H,26,29)
InChIKeyNRAKAPVTJROSRI-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.64
Rot. Bonds8

About N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 4988764) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID4988764
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(OC)cc1
InChIInChI=1S/C24H32N4O3/c1-5-24(2,3)26-22(29)17-28(19-9-11-20(31-4)12-10-19)23(30)18-8-13-21(25-16-18)27-14-6-7-15-27/h8-13,16H,5-7,14-15,17H2,1-4H3,(H,26,29)
InChIKeyNRAKAPVTJROSRI-UHFFFAOYSA-N
XLogP3.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 3213426
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4985607
N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3213417
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
ethyl 6-[4-[(4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 51128296
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119357395
6-(2,6-dimethylmorpholin-4-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 112822032
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
ethyl 6-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33370979
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 4988764) is N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is CCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is NRAKAPVTJROSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-24(2,3)26-22(29)17-28(19-9-11-20(31-4)12-10-19)23(30)18-8-13-21(25-16-18)27-14-6-7-15-27/h8-13,16H,5-7,14-15,17H2,1-4H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4988764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).