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

C21H23N5O — CID 133286260

IUPAC1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H23N5O/c22-20(27)16-9-12-26(13-10-16)21-17(5-3-11-23-21)14-24-19-8-7-15-4-1-2-6-18(15)25-19/h1-8,11,16H,9-10,12-14H2,(H2,22,27)(H,24,25)
InChIKeyYBBJKWHTUMBNQV-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.94
Rot. Bonds5

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

1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286260) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286260
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H23N5O/c22-20(27)16-9-12-26(13-10-16)21-17(5-3-11-23-21)14-24-19-8-7-15-4-1-2-6-18(15)25-19/h1-8,11,16H,9-10,12-14H2,(H2,22,27)(H,24,25)
InChIKeyYBBJKWHTUMBNQV-UHFFFAOYSA-N
XLogP2.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286261
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286281
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263
1-[3-[[(2-anilinoacetyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;dihydrochloride
CID 119877052
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
1-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635995
1-[3-[[(6-methylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286301
1-[3-[[(7-chloroquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286270
4-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]-2,2-dimethylbutanoic acid
CID 122126560
1-[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 110992163
1-[3-[[[N'-methyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111947908

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286260) is 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YBBJKWHTUMBNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-20(27)16-9-12-26(13-10-16)21-17(5-3-11-23-21)14-24-19-8-7-15-4-1-2-6-18(15)25-19/h1-8,11,16H,9-10,12-14H2,(H2,22,27)(H,24,25).
What are the key properties of 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(quinolin-2-ylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).