methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate

C18H14Cl2N4O3 — CID 71622459

IUPACmethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1
InChIInChI=1S/C18H14Cl2N4O3/c1-27-18(26)23-16-6-15(14(20)7-22-16)24-8-11(12(9-24)17(21)25)10-4-2-3-5-13(10)19/h2-9H,1H3,(H2,21,25)(H,22,23,26)
InChIKeyKZIGSVJENQDWEY-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.12
Rot. Bonds4

About methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate

methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate (PubChem CID 71622459) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate
PubChem CID71622459
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC Namemethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1
InChIInChI=1S/C18H14Cl2N4O3/c1-27-18(26)23-16-6-15(14(20)7-22-16)24-8-11(12(9-24)17(21)25)10-4-2-3-5-13(10)19/h2-9H,1H3,(H2,21,25)(H,22,23,26)
InChIKeyKZIGSVJENQDWEY-UHFFFAOYSA-N
XLogP4.12
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide
CID 86688674
1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chloro-5-methylphenyl)pyrrole-3-carboxamide
CID 123517316
1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 71620822
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
N-[4-[3-(2-chlorophenyl)-4-(N'-methanimidoylcarbamimidoyl)pyrrol-1-yl]-2-pyridinyl]acetamide
CID 123643754
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl N-(5-amino-2-pyridinyl)carbamate
CID 58772637
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
methyl N-[4-[3-(2-chloro-4-ethoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 71622878

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate (CID 71622459) is methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate is COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1.
What is the InChIKey of methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate?
The InChIKey is KZIGSVJENQDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3/c1-27-18(26)23-16-6-15(14(20)7-22-16)24-8-11(12(9-24)17(21)25)10-4-2-3-5-13(10)19/h2-9H,1H3,(H2,21,25)(H,22,23,26).
What are the key properties of methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate?
methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate has a molecular weight of 405.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate is sourced from PubChem (CID 71622459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).