6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide

C13H15N5O — CID 62172448

IUPAC6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ncccn2)cn1
InChIInChI=1S/C13H15N5O/c1-2-6-14-11-5-4-10(9-17-11)12(19)18-13-15-7-3-8-16-13/h3-5,7-9H,2,6H2,1H3,(H,14,17)(H,15,16,18,19)
InChIKeyACGLIRQHBROUPA-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.95
Rot. Bonds5

About 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide

6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide (PubChem CID 62172448) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
PubChem CID62172448
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ncccn2)cn1
InChIInChI=1S/C13H15N5O/c1-2-6-14-11-5-4-10(9-17-11)12(19)18-13-15-7-3-8-16-13/h3-5,7-9H,2,6H2,1H3,(H,14,17)(H,15,16,18,19)
InChIKeyACGLIRQHBROUPA-UHFFFAOYSA-N
XLogP1.95
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172274
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179
N-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide (CID 62172448) is 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ncccn2)cn1.
What is the InChIKey of 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The InChIKey is ACGLIRQHBROUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-6-14-11-5-4-10(9-17-11)12(19)18-13-15-7-3-8-16-13/h3-5,7-9H,2,6H2,1H3,(H,14,17)(H,15,16,18,19).
What are the key properties of 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62172448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).