N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide

C13H12N4O — CID 129240121

IUPACN-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cn1)c1cncnc1
InChIInChI=1S/C13H12N4O/c18-13(11-5-14-8-15-6-11)17-12-4-3-10(7-16-12)9-1-2-9/h3-9H,1-2H2,(H,16,17,18)
InChIKeyZRNAIXWXECFHNY-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.00
Rot. Bonds3

About N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide

N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 129240121) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID129240121
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cn1)c1cncnc1
InChIInChI=1S/C13H12N4O/c18-13(11-5-14-8-15-6-11)17-12-4-3-10(7-16-12)9-1-2-9/h3-9H,1-2H2,(H,16,17,18)
InChIKeyZRNAIXWXECFHNY-UHFFFAOYSA-N
XLogP2.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Syk Inhibitor II
CID 9549296
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
N-2-Pyridinyl-3-pyridinecarboxamide
CID 83187
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 22
CID 5330208
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide
CID 44530425
2-(2-Aminoethylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide
CID 9817349
2-(4-Aminobutylamino)-4-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxamide
CID 11710403
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide (CID 129240121) is N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(C2CC2)cn1)c1cncnc1.
What is the InChIKey of N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is ZRNAIXWXECFHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(11-5-14-8-15-6-11)17-12-4-3-10(7-16-12)9-1-2-9/h3-9H,1-2H2,(H,16,17,18).
What are the key properties of N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide?
N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 129240121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).