N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide

C23H21ClN4O4 — CID 66637958

IUPACN-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESC=NN(C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1
InChIInChI=1S/C23H21ClN4O4/c1-14-6-5-7-21(26-14)28(25-2)23(30)17-13-16(24)9-10-18(17)27-22(29)15-8-11-19(31-3)20(12-15)32-4/h5-13H,2H2,1,3-4H3,(H,27,29)
InChIKeyLEOVNWLTECBGQE-UHFFFAOYSA-N
MW452.90 g/mol
LogP4.58
Rot. Bonds7

About N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide

N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 66637958) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID66637958
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC NameN-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESC=NN(C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1
InChIInChI=1S/C23H21ClN4O4/c1-14-6-5-7-21(26-14)28(25-2)23(30)17-13-16(24)9-10-18(17)27-22(29)15-8-11-19(31-3)20(12-15)32-4/h5-13H,2H2,1,3-4H3,(H,27,29)
InChIKeyLEOVNWLTECBGQE-UHFFFAOYSA-N
XLogP4.58
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
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

N-[4-chloro-2-[[(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637959
N-[4-chloro-2-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 23108097
N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide
CID 3608171
N-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
CID 39714334

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide (CID 66637958) is N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide is C=NN(C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1.
What is the InChIKey of N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is LEOVNWLTECBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-14-6-5-7-21(26-14)28(25-2)23(30)17-13-16(24)9-10-18(17)27-22(29)15-8-11-19(31-3)20(12-15)32-4/h5-13H,2H2,1,3-4H3,(H,27,29).
What are the key properties of N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 452.90 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(methylideneamino)-(6-methyl-2-pyridinyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 66637958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).