N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide

C15H19N5O — CID 170774163

IUPACN-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C15H19N5O/c21-14(18-12-5-3-1-2-4-6-12)13-7-8-17-15(19-13)20-10-9-16-11-20/h7-12H,1-6H2,(H,18,21)
InChIKeySBKABUPRVRONDJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds3

About N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide

N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774163) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774163
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C15H19N5O/c21-14(18-12-5-3-1-2-4-6-12)13-7-8-17-15(19-13)20-10-9-16-11-20/h7-12H,1-6H2,(H,18,21)
InChIKeySBKABUPRVRONDJ-UHFFFAOYSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774163) is N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is SBKABUPRVRONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(18-12-5-3-1-2-4-6-12)13-7-8-17-15(19-13)20-10-9-16-11-20/h7-12H,1-6H2,(H,18,21).
What are the key properties of N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).