N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide

C13H12N4O — CID 1488509

IUPACN-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C13H12N4O/c18-13(10-1-2-10)17-11-5-8-15-12(16-11)9-3-6-14-7-4-9/h3-8,10H,1-2H2,(H,15,16,17,18)
InChIKeyNTGMYZLNHRENOP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.89
Rot. Bonds3

About N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide

N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 1488509) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID1488509
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C13H12N4O/c18-13(10-1-2-10)17-11-5-8-15-12(16-11)9-3-6-14-7-4-9/h3-8,10H,1-2H2,(H,15,16,17,18)
InChIKeyNTGMYZLNHRENOP-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1927420
CID 1927420
CID 2813162
CID 2813162
CID 1247097
CID 1247097
CID 5330261
CID 5330261
CID 5330285
CID 5330285
CID 4436165
CID 4436165
CID 2821933
CID 2821933
CID 565132
CID 565132
CID 83187
CID 83187
CID 5330208
CID 5330208
CID 39539451
CID 39539451
CID 836507
CID 836507

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide (CID 1488509) is N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1ccnc(-c2ccncc2)n1)C1CC1.
What is the InChIKey of N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is NTGMYZLNHRENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(10-1-2-10)17-11-5-8-15-12(16-11)9-3-6-14-7-4-9/h3-8,10H,1-2H2,(H,15,16,17,18).
What are the key properties of N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide?
N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylpyrimidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 1488509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).