N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane

C21H23Cl2N5O2 — CID 143438822

IUPACN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NN)n(-c2ncccc2Cl)c1
InChIInChI=1S/C19H17Cl2N5O2.C2H6/c1-10-6-15(26(9-10)17-14(21)4-3-5-23-17)19(28)24-16-11(2)7-12(20)8-13(16)18(27)25-22;1-2/h3-9H,22H2,1-2H3,(H,24,28)(H,25,27);1-2H3
InChIKeyCHQSUPSPANHKHS-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.68
Rot. Bonds4

About N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane

N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane (PubChem CID 143438822) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
PubChem CID143438822
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC NameN-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NN)n(-c2ncccc2Cl)c1
InChIInChI=1S/C19H17Cl2N5O2.C2H6/c1-10-6-15(26(9-10)17-14(21)4-3-5-23-17)19(28)24-16-11(2)7-12(20)8-13(16)18(27)25-22;1-2/h3-9H,22H2,1-2H3,(H,24,28)(H,25,27);1-2H3
InChIKeyCHQSUPSPANHKHS-UHFFFAOYSA-N
XLogP4.68
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl N-[[5-chloro-2-[[1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carbonyl]amino]-3-methylbenzoyl]amino]-N-methoxycarbonylcarbamate
CID 143476046
methyl N-[[5-chloro-2-[[4-chloro-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-3-methylbenzoyl]amino]carbamate
CID 59286838
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloropyridin-1-ium-2-yl)-4-iodopyrrole-2-carboxamide
CID 163518143
5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 58202359
4-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-ethylpyrrole-2-carboxamide
CID 170206423
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
CID 167452057
[[2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-5-cyano-3-methylbenzoyl]amino]azanide;yttrium
CID 145498240
ethyl 5-[[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907334
N-[4-chloro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane?
The IUPAC name of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane (CID 143438822) is N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane.
What is the SMILES notation for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane?
The canonical SMILES for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane is CC.Cc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NN)n(-c2ncccc2Cl)c1.
What is the InChIKey of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane?
The InChIKey is CHQSUPSPANHKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2.C2H6/c1-10-6-15(26(9-10)17-14(21)4-3-5-23-17)19(28)24-16-11(2)7-12(20)8-13(16)18(27)25-22;1-2/h3-9H,22H2,1-2H3,(H,24,28)(H,25,27);1-2H3.
What are the key properties of N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane?
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane has a molecular weight of 448.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane is sourced from PubChem (CID 143438822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).