N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide

C17H14Cl2N6O2 — CID 44824002

IUPACN-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1cccnc1Cl)n1ccc(C(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-11-4-2-7-20-14(11)18)25-9-6-13(24-25)17(27)23-12-5-3-8-21-15(12)19/h2-10H,1H3,(H,22,26)(H,23,27)
InChIKeyHHQBKDRGBQSBRM-UHFFFAOYSA-N
MW405.25 g/mol
LogP3.43
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 44824002) has the molecular formula C17H14Cl2N6O2 and a molecular weight of 405.25 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
PubChem CID44824002
Molecular FormulaC17H14Cl2N6O2
Molecular Weight405.25 g/mol
Exact Mass404.06
IUPAC NameN-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C(=O)Nc1cccnc1Cl)n1ccc(C(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-11-4-2-7-20-14(11)18)25-9-6-13(24-25)17(27)23-12-5-3-8-21-15(12)19/h2-10H,1H3,(H,22,26)(H,23,27)
InChIKeyHHQBKDRGBQSBRM-UHFFFAOYSA-N
XLogP3.43
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430826
1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
3-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16611111
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497048
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 44824002) is N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide is CC(C(=O)Nc1cccnc1Cl)n1ccc(C(=O)Nc2cccnc2Cl)n1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is HHQBKDRGBQSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6O2/c1-10(16(26)22-11-4-2-7-20-14(11)18)25-9-6-13(24-25)17(27)23-12-5-3-8-21-15(12)19/h2-10H,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 405.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 44824002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).