N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide

C17H18N6O — CID 21404744

IUPACN-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide
SMILESCC(C)(C)N(C(=O)n1ccnc1)c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C17H18N6O/c1-17(2,3)23(16(24)22-11-10-19-12-22)14-6-9-20-15(21-14)13-4-7-18-8-5-13/h4-12H,1-3H3
InChIKeyFZCOKCCPVCVGTC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.01
Rot. Bonds2

About N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide

N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide (PubChem CID 21404744) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide
PubChem CID21404744
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide
SMILESCC(C)(C)N(C(=O)n1ccnc1)c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C17H18N6O/c1-17(2,3)23(16(24)22-11-10-19-12-22)14-6-9-20-15(21-14)13-4-7-18-8-5-13/h4-12H,1-3H3
InChIKeyFZCOKCCPVCVGTC-UHFFFAOYSA-N
XLogP3.01
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide?
The IUPAC name of N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide (CID 21404744) is N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide is CC(C)(C)N(C(=O)n1ccnc1)c1ccnc(-c2ccncc2)n1.
What is the InChIKey of N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide?
The InChIKey is FZCOKCCPVCVGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-17(2,3)23(16(24)22-11-10-19-12-22)14-6-9-20-15(21-14)13-4-7-18-8-5-13/h4-12H,1-3H3.
What are the key properties of N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide?
N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-pyridin-4-ylpyrimidin-4-yl)imidazole-1-carboxamide is sourced from PubChem (CID 21404744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).