1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide

C16H26N4O — CID 103880534

IUPAC1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CNCc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-18-11-14-4-3-7-19-16(14)20-8-5-13(6-9-20)15(17)21/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H2,17,21)
InChIKeyYCIFGPVJNGJDIJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.53
Rot. Bonds6

About 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 103880534) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID103880534
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CNCc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-18-11-14-4-3-7-19-16(14)20-8-5-13(6-9-20)15(17)21/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H2,17,21)
InChIKeyYCIFGPVJNGJDIJ-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
1-[3-[[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111734618
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412532
1-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635995
1-[3-[[(2-anilinoacetyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 119877052
1-[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 110992163
1-[3-[[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111180081
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136517057
1-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111244267

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 103880534) is 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is CC(C)CNCc1cccnc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YCIFGPVJNGJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)10-18-11-14-4-3-7-19-16(14)20-8-5-13(6-9-20)15(17)21/h3-4,7,12-13,18H,5-6,8-11H2,1-2H3,(H2,17,21).
What are the key properties of 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 103880534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).