2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

C24H21ClN4O2 — CID 121231248

IUPAC2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3cccc(Cl)c3)c2)c2cnccc21
InChIInChI=1S/C24H21ClN4O2/c1-15(2)29-14-20(19-13-26-8-7-21(19)29)24(31)17-6-9-27-22(12-17)28-23(30)11-16-4-3-5-18(25)10-16/h3-10,12-15H,11H2,1-2H3,(H,27,28,30)
InChIKeyFHNKWBPHXLSECU-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.08
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide

2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (PubChem CID 121231248) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
PubChem CID121231248
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3cccc(Cl)c3)c2)c2cnccc21
InChIInChI=1S/C24H21ClN4O2/c1-15(2)29-14-20(19-13-26-8-7-21(19)29)24(31)17-6-9-27-22(12-17)28-23(30)11-16-4-3-5-18(25)10-16/h3-10,12-15H,11H2,1-2H3,(H,27,28,30)
InChIKeyFHNKWBPHXLSECU-UHFFFAOYSA-N
XLogP5.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide (CID 121231248) is 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3cccc(Cl)c3)c2)c2cnccc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
The InChIKey is FHNKWBPHXLSECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-15(2)29-14-20(19-13-26-8-7-21(19)29)24(31)17-6-9-27-22(12-17)28-23(30)11-16-4-3-5-18(25)10-16/h3-10,12-15H,11H2,1-2H3,(H,27,28,30).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide?
2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide has a molecular weight of 432.91 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 121231248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).