N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

C20H19ClN6O2 — CID 5431792

IUPACN-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H19ClN6O2/c1-12(24-25-20(29)18-17(21)13(2)26-27(18)3)14-4-6-16(7-5-14)23-19(28)15-8-10-22-11-9-15/h4-11H,1-3H3,(H,23,28)(H,25,29)/b24-12+
InChIKeyDZPXDYQJSRSRLF-WYMPLXKRSA-N
MW410.87 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5431792) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5431792
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H19ClN6O2/c1-12(24-25-20(29)18-17(21)13(2)26-27(18)3)14-4-6-16(7-5-14)23-19(28)15-8-10-22-11-9-15/h4-11H,1-3H3,(H,23,28)(H,25,29)/b24-12+
InChIKeyDZPXDYQJSRSRLF-WYMPLXKRSA-N
XLogP3.18
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 164624692
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
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CID 5410826
N-(4-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclobutanecarboxamide
CID 5431096
4-chloro-N-[(E)-1-[3-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2,5-dimethylpyrazole-3-carboxamide
CID 5431566
N-(2-Chloro-benzyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5431792) is N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is DZPXDYQJSRSRLF-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-12(24-25-20(29)18-17(21)13(2)26-27(18)3)14-4-6-16(7-5-14)23-19(28)15-8-10-22-11-9-15/h4-11H,1-3H3,(H,23,28)(H,25,29)/b24-12+.
What are the key properties of N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5431792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).