4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide

C14H13Cl2N3O2 — CID 58065673

IUPAC4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCNc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H13Cl2N3O2/c1-17-10-5-6-18-13(16)12(10)19-14(20)8-3-4-9(15)11(7-8)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyYCVMOHZSCCSBLN-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide

4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 58065673) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID58065673
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCNc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H13Cl2N3O2/c1-17-10-5-6-18-13(16)12(10)19-14(20)8-3-4-9(15)11(7-8)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyYCVMOHZSCCSBLN-UHFFFAOYSA-N
XLogP3.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
5-chloro-N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107623034
(2S)-2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120525982
2-[(4-chloro-3-methoxybenzoyl)amino]propanoic acid
CID 120523671
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide (CID 58065673) is 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide is CNc1ccnc(Cl)c1NC(=O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is YCVMOHZSCCSBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-17-10-5-6-18-13(16)12(10)19-14(20)8-3-4-9(15)11(7-8)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide?
4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 326.18 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 58065673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).