N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide

C22H34N4O3 — CID 72902343

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCFBCJJBCAJQZDF-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.92
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72902343) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID72902343
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCFBCJJBCAJQZDF-UHFFFAOYSA-N
XLogP1.92
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-({4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl}carbonyl)-6-methylpyridin-2(1H)-one
CID 72840777
N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 88892554
1-[[5-fluoro-7-(2-methylpropyl)-3a,7a-dihydro-1H-indol-2-yl]methyl]-3-[(E)-6-oxo-6-pyrrolidin-1-ylhex-4-enyl]pyridin-2-one
CID 170075543
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45205673
N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]cyclohexanecarboxamide
CID 45498148
(3S)-N-(2-cyclohexylethyl)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxamide
CID 15985682
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-pyrrolidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 21031628
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-pyrrolidin-1-ylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 21032181
(2R)-N-[(2S)-1-[[(E,3S)-6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675262
(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-pyrrolidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675437
N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-pyrrolidin-1-ylhex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 58649922
N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-pyrrolidin-1-ylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650003

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide (CID 72902343) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CFBCJJBCAJQZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72902343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).