2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide

C14H16ClN3O — CID 106415762

IUPAC2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2cccn2C)cc(Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-11-7-10(8-13(15)17-11)14(19)16-9-12-5-4-6-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeySTLAGIOQOBUYES-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 106415762) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID106415762
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2cccn2C)cc(Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-11-7-10(8-13(15)17-11)14(19)16-9-12-5-4-6-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeySTLAGIOQOBUYES-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.57
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

2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100787891
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-6-carboxamide
CID 103713378
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide (CID 106415762) is 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide is CCc1cc(C(=O)NCc2cccn2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is STLAGIOQOBUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-11-7-10(8-13(15)17-11)14(19)16-9-12-5-4-6-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106415762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).