N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide

C14H13ClN4O2 — CID 106753963

IUPACN-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2/C(N)=N/O)ccn1
InChIInChI=1S/C14H13ClN4O2/c1-8-6-9(4-5-17-8)14(20)18-12-7-10(15)2-3-11(12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20)
InChIKeyABZNSJWLECRBKS-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.39
Rot. Bonds3

About N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide

N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753963) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
PubChem CID106753963
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2/C(N)=N/O)ccn1
InChIInChI=1S/C14H13ClN4O2/c1-8-6-9(4-5-17-8)14(20)18-12-7-10(15)2-3-11(12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20)
InChIKeyABZNSJWLECRBKS-UHFFFAOYSA-N
XLogP2.39
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-4-iodobenzamide
CID 76932675
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
CID 136771415
N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786385
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 77050479
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050482
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-chloropyridine-2-carboxamide
CID 107800572
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide (CID 106753963) is N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2/C(N)=N/O)ccn1.
What is the InChIKey of N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is ABZNSJWLECRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-8-6-9(4-5-17-8)14(20)18-12-7-10(15)2-3-11(12)13(16)19-21/h2-7,21H,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide?
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).