N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C24H30N4O4 — CID 3213426

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-21-9-7-20(8-10-21)28(17-23(29)26-19-4-2-3-5-19)24(30)18-6-11-22(25-16-18)27-12-14-32-15-13-27/h6-11,16,19H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyYVCBUDDBXGQSLT-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 3213426) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID3213426
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-21-9-7-20(8-10-21)28(17-23(29)26-19-4-2-3-5-19)24(30)18-6-11-22(25-16-18)27-12-14-32-15-13-27/h6-11,16,19H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyYVCBUDDBXGQSLT-UHFFFAOYSA-N
XLogP2.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4988764
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 3216621
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4985607
N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide
CID 4141786
4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3172438
N-(4-hydroxyphenyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570914
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
2-[[6-(azepan-1-yl)pyridine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 75469156
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 3213426) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is YVCBUDDBXGQSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-21-9-7-20(8-10-21)28(17-23(29)26-19-4-2-3-5-19)24(30)18-6-11-22(25-16-18)27-12-14-32-15-13-27/h6-11,16,19H,2-5,12-15,17H2,1H3,(H,26,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 3213426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).