2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride

C15H18ClN5O — CID 175910359

IUPAC2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(c2ncccn2)C(c2ccccn2)C1
InChIInChI=1S/C15H17N5O.ClH/c16-14(21)11-5-9-20(15-18-7-3-8-19-15)13(10-11)12-4-1-2-6-17-12;/h1-4,6-8,11,13H,5,9-10H2,(H2,16,21);1H
InChIKeyVMBHSYZTBHZBPQ-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.74
Rot. Bonds3

About 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride

2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 175910359) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID175910359
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(c2ncccn2)C(c2ccccn2)C1
InChIInChI=1S/C15H17N5O.ClH/c16-14(21)11-5-9-20(15-18-7-3-8-19-15)13(10-11)12-4-1-2-6-17-12;/h1-4,6-8,11,13H,5,9-10H2,(H2,16,21);1H
InChIKeyVMBHSYZTBHZBPQ-UHFFFAOYSA-N
XLogP1.74
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
2-pyridin-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 141417552
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide
CID 110268253
11-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 140675816
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
1-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 71897846
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride (CID 175910359) is 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(c2ncccn2)C(c2ccccn2)C1.
What is the InChIKey of 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VMBHSYZTBHZBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.ClH/c16-14(21)11-5-9-20(15-18-7-3-8-19-15)13(10-11)12-4-1-2-6-17-12;/h1-4,6-8,11,13H,5,9-10H2,(H2,16,21);1H.
What are the key properties of 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride?
2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 319.80 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 175910359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).