N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C14H11ClN4O — CID 167813654

IUPACN-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cn1)c1cncc2[nH]ccc12
InChIInChI=1S/C14H11ClN4O/c15-9-1-2-10(18-5-9)6-19-14(20)12-7-16-8-13-11(12)3-4-17-13/h1-5,7-8,17H,6H2,(H,19,20)
InChIKeyBCKZZMWDVDFYLN-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.54
Rot. Bonds3

About N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 167813654) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID167813654
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cn1)c1cncc2[nH]ccc12
InChIInChI=1S/C14H11ClN4O/c15-9-1-2-10(18-5-9)6-19-14(20)12-7-16-8-13-11(12)3-4-17-13/h1-5,7-8,17H,6H2,(H,19,20)
InChIKeyBCKZZMWDVDFYLN-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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 167813654) is N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is O=C(NCc1ccc(Cl)cn1)c1cncc2[nH]ccc12.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is BCKZZMWDVDFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-9-1-2-10(18-5-9)6-19-14(20)12-7-16-8-13-11(12)3-4-17-13/h1-5,7-8,17H,6H2,(H,19,20).
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-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 N-[(5-chloro-2-pyridinyl)methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 167813654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).