N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide

C17H14N4O — CID 119100845

IUPACN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccncc1
InChIInChI=1S/C17H14N4O/c22-17(15-4-8-19-9-5-15)21-12-13-1-10-20-16(11-13)14-2-6-18-7-3-14/h1-11H,12H2,(H,21,22)
InChIKeyKMUDMDLNFZACDD-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 119100845) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID119100845
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccncc1
InChIInChI=1S/C17H14N4O/c22-17(15-4-8-19-9-5-15)21-12-13-1-10-20-16(11-13)14-2-6-18-7-3-14/h1-11H,12H2,(H,21,22)
InChIKeyKMUDMDLNFZACDD-UHFFFAOYSA-N
XLogP2.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 119100845) is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1ccncc1.
What is the InChIKey of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is KMUDMDLNFZACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(15-4-8-19-9-5-15)21-12-13-1-10-20-16(11-13)14-2-6-18-7-3-14/h1-11H,12H2,(H,21,22).
What are the key properties of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide?
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 119100845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).