6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C14H11ClN4O — CID 171835152

IUPAC6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C14H11ClN4O/c15-12-2-1-10-11(8-17-13(10)19-12)14(20)18-7-9-3-5-16-6-4-9/h1-6,8H,7H2,(H,17,19)(H,18,20)
InChIKeyZYLJYCJKCJUGSQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.54
Rot. Bonds3

About 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171835152) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171835152
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C14H11ClN4O/c15-12-2-1-10-11(8-17-13(10)19-12)14(20)18-7-9-3-5-16-6-4-9/h1-6,8H,7H2,(H,17,19)(H,18,20)
InChIKeyZYLJYCJKCJUGSQ-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707495
4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155538726
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171835152) is 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCc1ccncc1)c1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZYLJYCJKCJUGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-2-1-10-11(8-17-13(10)19-12)14(20)18-7-9-3-5-16-6-4-9/h1-6,8H,7H2,(H,17,19)(H,18,20).
What are the key properties of 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171835152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).