N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide

C15H18N4O — CID 63670386

IUPACN-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccncc2C)ccn1
InChIInChI=1S/C15H18N4O/c1-3-6-17-14-9-12(4-8-18-14)15(20)19-13-5-7-16-10-11(13)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyKVBWHMFACVYKRD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds5

About N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide

N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 63670386) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID63670386
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccncc2C)ccn1
InChIInChI=1S/C15H18N4O/c1-3-6-17-14-9-12(4-8-18-14)15(20)19-13-5-7-16-10-11(13)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyKVBWHMFACVYKRD-UHFFFAOYSA-N
XLogP2.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide (CID 63670386) is N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccncc2C)ccn1.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is KVBWHMFACVYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-6-17-14-9-12(4-8-18-14)15(20)19-13-5-7-16-10-11(13)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,16,19,20).
What are the key properties of N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide?
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 63670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).