3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

C15H14N4O — CID 166205015

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccnc3[nH]ccc23)c1
InChIInChI=1S/C15H14N4O/c16-14(20)10-2-1-3-12(8-10)19-9-11-4-6-17-15-13(11)5-7-18-15/h1-8,19H,9H2,(H2,16,20)(H,17,18)
InChIKeySFZQDUOKWYIPNZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds4

About 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (PubChem CID 166205015) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
PubChem CID166205015
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccnc3[nH]ccc23)c1
InChIInChI=1S/C15H14N4O/c16-14(20)10-2-1-3-12(8-10)19-9-11-4-6-17-15-13(11)5-7-18-15/h1-8,19H,9H2,(H2,16,20)(H,17,18)
InChIKeySFZQDUOKWYIPNZ-UHFFFAOYSA-N
XLogP2.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]pyrrolidin-2-one
CID 167950434
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (CID 166205015) is 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ccnc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The InChIKey is SFZQDUOKWYIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-14(20)10-2-1-3-12(8-10)19-9-11-4-6-17-15-13(11)5-7-18-15/h1-8,19H,9H2,(H2,16,20)(H,17,18).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 166205015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).