N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide

C27H42N4O5 — CID 46904005

IUPACN-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C27H42N4O5/c1-20-23(27(35)30-13-15-36-16-14-30)17-22(18-24(32)28-19-21-7-3-2-4-8-21)26(34)31(20)12-6-11-29-10-5-9-25(29)33/h21-22H,2-19H2,1H3,(H,28,32)
InChIKeyXHFBEFKISOMMKT-UHFFFAOYSA-N
MW502.66 g/mol
LogP2.07
Rot. Bonds9

About N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide

N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide (PubChem CID 46904005) has the molecular formula C27H42N4O5 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide
PubChem CID46904005
Molecular FormulaC27H42N4O5
Molecular Weight502.66 g/mol
Exact Mass502.32
IUPAC NameN-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C27H42N4O5/c1-20-23(27(35)30-13-15-36-16-14-30)17-22(18-24(32)28-19-21-7-3-2-4-8-21)26(34)31(20)12-6-11-29-10-5-9-25(29)33/h21-22H,2-19H2,1H3,(H,28,32)
InChIKeyXHFBEFKISOMMKT-UHFFFAOYSA-N
XLogP2.07
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
CID 46903239
2-[5-(azepane-1-carbonyl)-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 53299456
3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359350
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide
CID 51359316
2-[5-(azepane-1-carbonyl)-1-(3-methoxypropyl)-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 53299453
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 51359422
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904917
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
N-(cyclopropylmethyl)-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]piperidine-3-carboxamide
CID 87014329
2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 96998898

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide (CID 46904005) is N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide is CC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCCN1CCCC1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide?
The InChIKey is XHFBEFKISOMMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O5/c1-20-23(27(35)30-13-15-36-16-14-30)17-22(18-24(32)28-19-21-7-3-2-4-8-21)26(34)31(20)12-6-11-29-10-5-9-25(29)33/h21-22H,2-19H2,1H3,(H,28,32).
What are the key properties of N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide?
N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide has a molecular weight of 502.66 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]acetamide is sourced from PubChem (CID 46904005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).