6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide

C16H15N5O — CID 123186824

IUPAC6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide
SMILESNC(=O)C1CN=CN=C1Nc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H15N5O/c17-15(22)13-9-18-10-20-16(13)21-12-5-3-4-11(8-12)14-6-1-2-7-19-14/h1-8,10,13H,9H2,(H2,17,22)(H,18,20,21)
InChIKeyORGSRBYRVZSENJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.70
Rot. Bonds3

About 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide

6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide (PubChem CID 123186824) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide
PubChem CID123186824
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide
SMILESNC(=O)C1CN=CN=C1Nc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H15N5O/c17-15(22)13-9-18-10-20-16(13)21-12-5-3-4-11(8-12)14-6-1-2-7-19-14/h1-8,10,13H,9H2,(H2,17,22)(H,18,20,21)
InChIKeyORGSRBYRVZSENJ-UHFFFAOYSA-N
XLogP1.70
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide (CID 123186824) is 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide is NC(=O)C1CN=CN=C1Nc1cccc(-c2ccccn2)c1.
What is the InChIKey of 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide?
The InChIKey is ORGSRBYRVZSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-15(22)13-9-18-10-20-16(13)21-12-5-3-4-11(8-12)14-6-1-2-7-19-14/h1-8,10,13H,9H2,(H2,17,22)(H,18,20,21).
What are the key properties of 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide?
6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-2-ylanilino)-4,5-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 123186824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).