2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide

C19H19ClN4O3 — CID 18408375

IUPAC2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(=O)N(C)CC(C#N)CCl)nc1
InChIInChI=1S/C19H19ClN4O3/c1-24(12-13(9-20)10-21)19(26)16-8-7-14(11-22-16)18(25)23-15-5-3-4-6-17(15)27-2/h3-8,11,13H,9,12H2,1-2H3,(H,23,25)
InChIKeyFAPOZWBWGDLCBI-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.79
Rot. Bonds7

About 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide

2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide (PubChem CID 18408375) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide
PubChem CID18408375
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(=O)N(C)CC(C#N)CCl)nc1
InChIInChI=1S/C19H19ClN4O3/c1-24(12-13(9-20)10-21)19(26)16-8-7-14(11-22-16)18(25)23-15-5-3-4-6-17(15)27-2/h3-8,11,13H,9,12H2,1-2H3,(H,23,25)
InChIKeyFAPOZWBWGDLCBI-UHFFFAOYSA-N
XLogP2.79
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide (CID 18408375) is 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide is COc1ccccc1NC(=O)c1ccc(C(=O)N(C)CC(C#N)CCl)nc1.
What is the InChIKey of 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide?
The InChIKey is FAPOZWBWGDLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-24(12-13(9-20)10-21)19(26)16-8-7-14(11-22-16)18(25)23-15-5-3-4-6-17(15)27-2/h3-8,11,13H,9,12H2,1-2H3,(H,23,25).
What are the key properties of 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide?
2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-cyanopropyl)-5-N-(2-methoxyphenyl)-2-N-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 18408375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).