N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide

C17H16ClN5O2 — CID 71713948

IUPACN-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(=O)C(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChIInChI=1S/C17H16ClN5O2/c1-17(15(25)23(2)16(19)22-17)10-4-3-5-12(8-10)21-14(24)13-7-6-11(18)9-20-13/h3-9H,1-2H3,(H2,19,22)(H,21,24)
InChIKeyGTDYUUXEUKWIMF-UHFFFAOYSA-N
MW357.80 g/mol
LogP1.99
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 71713948) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide
PubChem CID71713948
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(=O)C(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChIInChI=1S/C17H16ClN5O2/c1-17(15(25)23(2)16(19)22-17)10-4-3-5-12(8-10)21-14(24)13-7-6-11(18)9-20-13/h3-9H,1-2H3,(H2,19,22)(H,21,24)
InChIKeyGTDYUUXEUKWIMF-UHFFFAOYSA-N
XLogP1.99
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide (CID 71713948) is N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide is CN1C(=O)C(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is GTDYUUXEUKWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-17(15(25)23(2)16(19)22-17)10-4-3-5-12(8-10)21-14(24)13-7-6-11(18)9-20-13/h3-9H,1-2H3,(H2,19,22)(H,21,24).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 71713948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).