N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

C19H17ClN4O2 — CID 3320057

IUPACN-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ncccc2C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)12-23-18-15(4-2-11-22-18)19(25)24-16-5-3-10-21-17(16)20/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyZMVLHJLZGJQESC-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 3320057) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID3320057
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ncccc2C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)12-23-18-15(4-2-11-22-18)19(25)24-16-5-3-10-21-17(16)20/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyZMVLHJLZGJQESC-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
CID 23632780
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249311
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 10201098
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 3320057) is N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccc(CNc2ncccc2C(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZMVLHJLZGJQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)12-23-18-15(4-2-11-22-18)19(25)24-16-5-3-10-21-17(16)20/h2-11H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 3320057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).