N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

C16H26N4O — CID 62165371

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C16H26N4O/c1-3-9-17-15-14(8-5-10-18-15)16(21)19-12-13-7-6-11-20(13)4-2/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyNKZNVYCIKCSZOM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62165371) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID62165371
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCC1CCCN1CC
InChIInChI=1S/C16H26N4O/c1-3-9-17-15-14(8-5-10-18-15)16(21)19-12-13-7-6-11-20(13)4-2/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyNKZNVYCIKCSZOM-UHFFFAOYSA-N
XLogP2.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 63897320
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (CID 62165371) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is NKZNVYCIKCSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-9-17-15-14(8-5-10-18-15)16(21)19-12-13-7-6-11-20(13)4-2/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 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]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62165371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).