N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide

C15H13ClN4O2 — CID 91076214

IUPACN-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NN=C(CN=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN4O2/c1-10-5-12(8-17-7-10)15(21)20-19-14(9-18-22)11-3-2-4-13(16)6-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyZXRLRFMSSBZQLJ-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.94
Rot. Bonds5

About N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide

N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide (PubChem CID 91076214) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
PubChem CID91076214
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NN=C(CN=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN4O2/c1-10-5-12(8-17-7-10)15(21)20-19-14(9-18-22)11-3-2-4-13(16)6-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyZXRLRFMSSBZQLJ-UHFFFAOYSA-N
XLogP2.94
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
3,4-dichloro-N-[[1-(3,4-dichlorophenyl)-2-nitrosoethylidene]amino]benzamide
CID 91446441
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
CID 46741785

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide (CID 91076214) is N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NN=C(CN=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide?
The InChIKey is ZXRLRFMSSBZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-10-5-12(8-17-7-10)15(21)20-19-14(9-18-22)11-3-2-4-13(16)6-11/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide?
N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 91076214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).