N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide

C21H18ClN5O2 — CID 3265838

IUPACN-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-14(26-27-20(28)16-3-2-12-23-13-16)15-4-8-18(9-5-15)24-21(29)25-19-10-6-17(22)7-11-19/h2-13H,1H3,(H,27,28)(H2,24,25,29)
InChIKeyCTJWRFPGAFQGCF-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.53
Rot. Bonds5

About N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide

N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 3265838) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID3265838
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-14(26-27-20(28)16-3-2-12-23-13-16)15-4-8-18(9-5-15)24-21(29)25-19-10-6-17(22)7-11-19/h2-13H,1H3,(H,27,28)(H2,24,25,29)
InChIKeyCTJWRFPGAFQGCF-UHFFFAOYSA-N
XLogP4.53
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6091313
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[4-chloro-2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 58712775
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-[(4-chlorophenyl)sulfanylmethyl]-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 3900652
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide (CID 3265838) is N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is CTJWRFPGAFQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-14(26-27-20(28)16-3-2-12-23-13-16)15-4-8-18(9-5-15)24-21(29)25-19-10-6-17(22)7-11-19/h2-13H,1H3,(H,27,28)(H2,24,25,29).
What are the key properties of N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3265838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).