N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide

C17H25ClN4O — CID 166430138

IUPACN-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCN(c3ccc(Cl)nc3)C2)CC1
InChIInChI=1S/C17H25ClN4O/c1-13-4-7-21(8-5-13)17(23)20-10-14-6-9-22(12-14)15-2-3-16(18)19-11-15/h2-3,11,13-14H,4-10,12H2,1H3,(H,20,23)
InChIKeyGJFMECNGZYFAGP-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.00
Rot. Bonds3

About N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide

N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 166430138) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide
PubChem CID166430138
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCN(c3ccc(Cl)nc3)C2)CC1
InChIInChI=1S/C17H25ClN4O/c1-13-4-7-21(8-5-13)17(23)20-10-14-6-9-22(12-14)15-2-3-16(18)19-11-15/h2-3,11,13-14H,4-10,12H2,1H3,(H,20,23)
InChIKeyGJFMECNGZYFAGP-UHFFFAOYSA-N
XLogP3.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
(2R,6S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95161107
N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 166429844
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 55809651
4-(azepan-1-ylmethyl)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 52536649
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide (CID 166430138) is N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCC2CCN(c3ccc(Cl)nc3)C2)CC1.
What is the InChIKey of N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is GJFMECNGZYFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-13-4-7-21(8-5-13)17(23)20-10-14-6-9-22(12-14)15-2-3-16(18)19-11-15/h2-3,11,13-14H,4-10,12H2,1H3,(H,20,23).
What are the key properties of N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide?
N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 336.87 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 166430138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).