N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide

C14H14ClN3O — CID 107301072

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H14ClN3O/c1-9-11(6-7-13(15)16-9)17-14(19)12-3-2-8-18(12)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,19)
InChIKeyFFADYBKWSZXNDJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.43
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide

N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 107301072) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID107301072
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H14ClN3O/c1-9-11(6-7-13(15)16-9)17-14(19)12-3-2-8-18(12)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,19)
InChIKeyFFADYBKWSZXNDJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
N-(5-bromo-2-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114052140
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114050566
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide (CID 107301072) is N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide is Cc1nc(Cl)ccc1NC(=O)c1cccn1C1CC1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is FFADYBKWSZXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-11(6-7-13(15)16-9)17-14(19)12-3-2-8-18(12)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,17,19).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide?
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 107301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).