N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide

C22H23N5O — CID 134803744

IUPACN-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1)c1ccccn1
InChIInChI=1S/C22H23N5O/c28-22(21-5-1-2-10-25-21)26-20-4-3-11-27(15-20)14-17-6-8-18(9-7-17)19-12-23-16-24-13-19/h1-2,5-10,12-13,16,20H,3-4,11,14-15H2,(H,26,28)
InChIKeyLCQVVWCDUSDETQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.93
Rot. Bonds5

About N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide

N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 134803744) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
PubChem CID134803744
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1)c1ccccn1
InChIInChI=1S/C22H23N5O/c28-22(21-5-1-2-10-25-21)26-20-4-3-11-27(15-20)14-17-6-8-18(9-7-17)19-12-23-16-24-13-19/h1-2,5-10,12-13,16,20H,3-4,11,14-15H2,(H,26,28)
InChIKeyLCQVVWCDUSDETQ-UHFFFAOYSA-N
XLogP2.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide (CID 134803744) is N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide is O=C(NC1CCCN(Cc2ccc(-c3cncnc3)cc2)C1)c1ccccn1.
What is the InChIKey of N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is LCQVVWCDUSDETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(21-5-1-2-10-25-21)26-20-4-3-11-27(15-20)14-17-6-8-18(9-7-17)19-12-23-16-24-13-19/h1-2,5-10,12-13,16,20H,3-4,11,14-15H2,(H,26,28).
What are the key properties of N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide?
N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134803744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).