[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium

C14H16ClN4O+ — CID 5143045

IUPAC[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium
SMILESCc1cc(N[NH2+]c2ccc(Cl)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C14H15ClN4O/c1-8-7-12(13(14(16)20)9(2)17-8)19-18-11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H2,16,20)(H,17,19)/p+1
InChIKeyDIBJHAGKNNKESV-UHFFFAOYSA-O
MW291.76 g/mol
LogP1.67
Rot. Bonds4

About [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium

[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium (PubChem CID 5143045) has the molecular formula C14H16ClN4O+ and a molecular weight of 291.76 g/mol. Its IUPAC name is [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium.

Molecular Properties

Compound Name[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium
PubChem CID5143045
Molecular FormulaC14H16ClN4O+
Molecular Weight291.76 g/mol
Exact Mass291.10
IUPAC Name[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium
SMILESCc1cc(N[NH2+]c2ccc(Cl)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C14H15ClN4O/c1-8-7-12(13(14(16)20)9(2)17-8)19-18-11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H2,16,20)(H,17,19)/p+1
InChIKeyDIBJHAGKNNKESV-UHFFFAOYSA-O
XLogP1.67
TPSA84.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322444
2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81036110
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81035906
4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81061276
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
CID 81051498
4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
CID 103353986
2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107425347
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744

Frequently Asked Questions

What is the IUPAC name of [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium?
The IUPAC name of [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium (CID 5143045) is [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium.
What is the SMILES notation for [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium?
The canonical SMILES for [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium is Cc1cc(N[NH2+]c2ccc(Cl)cc2)c(C(N)=O)c(C)n1.
What is the InChIKey of [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium?
The InChIKey is DIBJHAGKNNKESV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15ClN4O/c1-8-7-12(13(14(16)20)9(2)17-8)19-18-11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H2,16,20)(H,17,19)/p+1.
What are the key properties of [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium?
[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium has a molecular weight of 291.76 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-(4-chlorophenyl)azanium is sourced from PubChem (CID 5143045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).