4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C15H12F2N4O — CID 22120662

IUPAC4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNCc1c(F)cc(C(=O)Nc2ccnc3[nH]ccc23)cc1F
InChIInChI=1S/C15H12F2N4O/c16-11-5-8(6-12(17)10(11)7-18)15(22)21-13-2-4-20-14-9(13)1-3-19-14/h1-6H,7,18H2,(H2,19,20,21,22)
InChIKeyNAGDNUNDPLGVGH-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.55
Rot. Bonds3

About 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 22120662) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID22120662
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNCc1c(F)cc(C(=O)Nc2ccnc3[nH]ccc23)cc1F
InChIInChI=1S/C15H12F2N4O/c16-11-5-8(6-12(17)10(11)7-18)15(22)21-13-2-4-20-14-9(13)1-3-19-14/h1-6H,7,18H2,(H2,19,20,21,22)
InChIKeyNAGDNUNDPLGVGH-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 22120662) is 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is NCc1c(F)cc(C(=O)Nc2ccnc3[nH]ccc23)cc1F.
What is the InChIKey of 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is NAGDNUNDPLGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-11-5-8(6-12(17)10(11)7-18)15(22)21-13-2-4-20-14-9(13)1-3-19-14/h1-6H,7,18H2,(H2,19,20,21,22).
What are the key properties of 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 302.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3,5-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 22120662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).