N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C20H24N4O3 — CID 136576931

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C20H24N4O3/c1-2-22-19(25)14-27-17-6-3-5-16(13-17)23-20(26)24-12-4-7-18(24)15-8-10-21-11-9-15/h3,5-6,8-11,13,18H,2,4,7,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyMVIRLSVELZAOEY-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.97
Rot. Bonds6

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 136576931) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID136576931
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C20H24N4O3/c1-2-22-19(25)14-27-17-6-3-5-16(13-17)23-20(26)24-12-4-7-18(24)15-8-10-21-11-9-15/h3,5-6,8-11,13,18H,2,4,7,12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyMVIRLSVELZAOEY-UHFFFAOYSA-N
XLogP2.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
N-[3-(1,3-dithian-2-yl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71895904
2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 94611215
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
ethyl 5-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 47040792
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075521

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 136576931) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCNC(=O)COc1cccc(NC(=O)N2CCCC2c2ccncc2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is MVIRLSVELZAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-22-19(25)14-27-17-6-3-5-16(13-17)23-20(26)24-12-4-7-18(24)15-8-10-21-11-9-15/h3,5-6,8-11,13,18H,2,4,7,12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136576931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).