N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C17H16N6O3 — CID 60527028

IUPACN-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H16N6O3/c1-22-11-20-16(23(25)26)15(22)19-10-12-3-2-4-14(9-12)21-17(24)13-5-7-18-8-6-13/h2-9,11,19H,10H2,1H3,(H,21,24)
InChIKeyUEYZLFKAISIGRM-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.59
Rot. Bonds6

About N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 60527028) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID60527028
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H16N6O3/c1-22-11-20-16(23(25)26)15(22)19-10-12-3-2-4-14(9-12)21-17(24)13-5-7-18-8-6-13/h2-9,11,19H,10H2,1H3,(H,21,24)
InChIKeyUEYZLFKAISIGRM-UHFFFAOYSA-N
XLogP2.59
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56556987
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-methyl-5-nitroimidazol-4-amine
CID 56784891
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 56825715
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 60527028) is N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is Cn1cnc([N+](=O)[O-])c1NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is UEYZLFKAISIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-22-11-20-16(23(25)26)15(22)19-10-12-3-2-4-14(9-12)21-17(24)13-5-7-18-8-6-13/h2-9,11,19H,10H2,1H3,(H,21,24).
What are the key properties of N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 60527028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).