N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide

C19H22ClN5O3 — CID 66666944

IUPACN-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
SMILESO=C(CN1N=C2CCC(C(=O)Nc3cccc(Cl)c3)CN2CC1=O)NC1CC1
InChIInChI=1S/C19H22ClN5O3/c20-13-2-1-3-15(8-13)22-19(28)12-4-7-16-23-25(18(27)11-24(16)9-12)10-17(26)21-14-5-6-14/h1-3,8,12,14H,4-7,9-11H2,(H,21,26)(H,22,28)
InChIKeyWVLHSWMYGVXRHP-UHFFFAOYSA-N
MW403.87 g/mol
LogP1.42
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide

N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide (PubChem CID 66666944) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
PubChem CID66666944
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC NameN-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
SMILESO=C(CN1N=C2CCC(C(=O)Nc3cccc(Cl)c3)CN2CC1=O)NC1CC1
InChIInChI=1S/C19H22ClN5O3/c20-13-2-1-3-15(8-13)22-19(28)12-4-7-16-23-25(18(27)11-24(16)9-12)10-17(26)21-14-5-6-14/h1-3,8,12,14H,4-7,9-11H2,(H,21,26)(H,22,28)
InChIKeyWVLHSWMYGVXRHP-UHFFFAOYSA-N
XLogP1.42
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide with MolForge

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Related Compounds

2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 143538428
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535
N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
CID 143538325
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
CID 163686162
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide (CID 66666944) is N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide is O=C(CN1N=C2CCC(C(=O)Nc3cccc(Cl)c3)CN2CC1=O)NC1CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide?
The InChIKey is WVLHSWMYGVXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3/c20-13-2-1-3-15(8-13)22-19(28)12-4-7-16-23-25(18(27)11-24(16)9-12)10-17(26)21-14-5-6-14/h1-3,8,12,14H,4-7,9-11H2,(H,21,26)(H,22,28).
What are the key properties of N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide?
N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 66666944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).