2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

C25H21N5O2 — CID 121231217

IUPAC2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21
InChIInChI=1S/C25H21N5O2/c1-16(2)30-15-22(21-14-27-8-7-23(21)30)25(32)19-10-20(13-28-12-19)29-24(31)9-17-3-5-18(11-26)6-4-17/h3-8,10,12-16H,9H2,1-2H3,(H,29,31)
InChIKeyNBLSSEGFBNBJSM-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide

2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (PubChem CID 121231217) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
PubChem CID121231217
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21
InChIInChI=1S/C25H21N5O2/c1-16(2)30-15-22(21-14-27-8-7-23(21)30)25(32)19-10-20(13-28-12-19)29-24(31)9-17-3-5-18(11-26)6-4-17/h3-8,10,12-16H,9H2,1-2H3,(H,29,31)
InChIKeyNBLSSEGFBNBJSM-UHFFFAOYSA-N
XLogP4.30
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide (CID 121231217) is 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnccc21.
What is the InChIKey of 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is NBLSSEGFBNBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16(2)30-15-22(21-14-27-8-7-23(21)30)25(32)19-10-20(13-28-12-19)29-24(31)9-17-3-5-18(11-26)6-4-17/h3-8,10,12-16H,9H2,1-2H3,(H,29,31).
What are the key properties of 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide?
2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 423.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 121231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).