1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide

C16H26N4O — CID 103194726

IUPAC1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide
SMILESCCC(N)C(c1cccnc1)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C16H26N4O/c1-3-14(17)15(12-6-4-8-19-10-12)20-9-5-7-13(11-20)16(21)18-2/h4,6,8,10,13-15H,3,5,7,9,11,17H2,1-2H3,(H,18,21)
InChIKeyNDGNMFOOYBYHQE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.32
Rot. Bonds5

About 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194726) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194726
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide
SMILESCCC(N)C(c1cccnc1)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C16H26N4O/c1-3-14(17)15(12-6-4-8-19-10-12)20-9-5-7-13(11-20)16(21)18-2/h4,6,8,10,13-15H,3,5,7,9,11,17H2,1-2H3,(H,18,21)
InChIKeyNDGNMFOOYBYHQE-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylazepan-1-yl)-1-pyridin-3-ylbutan-2-amine
CID 63622936
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194737
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide (CID 103194726) is 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide is CCC(N)C(c1cccnc1)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is NDGNMFOOYBYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-14(17)15(12-6-4-8-19-10-12)20-9-5-7-13(11-20)16(21)18-2/h4,6,8,10,13-15H,3,5,7,9,11,17H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).