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

C15H13FN4O — CID 167824179

IUPAC2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1F
InChIInChI=1S/C15H13FN4O/c16-13-7-10(1-2-12(13)14(17)21)20-8-9-3-5-18-15-11(9)4-6-19-15/h1-7,20H,8H2,(H2,17,21)(H,18,19)
InChIKeyWCAVFKDQTRTCNW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.41
Rot. Bonds4

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

2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (PubChem CID 167824179) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
PubChem CID167824179
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1F
InChIInChI=1S/C15H13FN4O/c16-13-7-10(1-2-12(13)14(17)21)20-8-9-3-5-18-15-11(9)4-6-19-15/h1-7,20H,8H2,(H2,17,21)(H,18,19)
InChIKeyWCAVFKDQTRTCNW-UHFFFAOYSA-N
XLogP2.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166358840
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
CID 166358700
4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278684
1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
CID 69263704
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]pyrrolidin-2-one
CID 167950434
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 166237298
2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62748327
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (CID 167824179) is 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is NC(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1F.
What is the InChIKey of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The InChIKey is WCAVFKDQTRTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-7-10(1-2-12(13)14(17)21)20-8-9-3-5-18-15-11(9)4-6-19-15/h1-7,20H,8H2,(H2,17,21)(H,18,19).
What are the key properties of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 167824179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).