N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

C16H13N5O — CID 146525533

IUPACN-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1cncnc1
InChIInChI=1S/C16H13N5O/c17-13-6-7-14(11-4-2-1-3-5-11)20-15(13)21-16(22)12-8-18-10-19-9-12/h1-10H,17H2,(H,20,21,22)
InChIKeyXSDKKYWQAMJOOX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.37
Rot. Bonds3

About N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide

N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 146525533) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID146525533
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1cncnc1
InChIInChI=1S/C16H13N5O/c17-13-6-7-14(11-4-2-1-3-5-11)20-15(13)21-16(22)12-8-18-10-19-9-12/h1-10H,17H2,(H,20,21,22)
InChIKeyXSDKKYWQAMJOOX-UHFFFAOYSA-N
XLogP2.37
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide (CID 146525533) is N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is Nc1ccc(-c2ccccc2)nc1NC(=O)c1cncnc1.
What is the InChIKey of N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is XSDKKYWQAMJOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-13-6-7-14(11-4-2-1-3-5-11)20-15(13)21-16(22)12-8-18-10-19-9-12/h1-10H,17H2,(H,20,21,22).
What are the key properties of N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide?
N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 146525533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).