N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C22H26N4O2 — CID 46599128

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-15(16-8-10-18(11-9-16)25-21(27)17-6-7-17)24-22(28)19-5-4-12-23-20(19)26-13-2-3-14-26/h4-5,8-12,15,17H,2-3,6-7,13-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyPMMMFPGZQRODME-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.52
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 46599128) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID46599128
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-15(16-8-10-18(11-9-16)25-21(27)17-6-7-17)24-22(28)19-5-4-12-23-20(19)26-13-2-3-14-26/h4-5,8-12,15,17H,2-3,6-7,13-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyPMMMFPGZQRODME-UHFFFAOYSA-N
XLogP3.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134025205
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 53200695
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 133469687
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 95772183

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 46599128) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is CC(NC(=O)c1cccnc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is PMMMFPGZQRODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(16-8-10-18(11-9-16)25-21(27)17-6-7-17)24-22(28)19-5-4-12-23-20(19)26-13-2-3-14-26/h4-5,8-12,15,17H,2-3,6-7,13-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 46599128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).