7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C13H11N5O — CID 170995124

IUPAC7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNc1ccnc2cc(C(=O)Nc3cccnc3)[nH]c12
InChIInChI=1S/C13H11N5O/c14-9-3-5-16-10-6-11(18-12(9)10)13(19)17-8-2-1-4-15-7-8/h1-7,18H,(H2,14,16)(H,17,19)
InChIKeyKLLZJBILIOZTFQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 170995124) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID170995124
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNc1ccnc2cc(C(=O)Nc3cccnc3)[nH]c12
InChIInChI=1S/C13H11N5O/c14-9-3-5-16-10-6-11(18-12(9)10)13(19)17-8-2-1-4-15-7-8/h1-7,18H,(H2,14,16)(H,17,19)
InChIKeyKLLZJBILIOZTFQ-UHFFFAOYSA-N
XLogP1.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 170995124) is 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is Nc1ccnc2cc(C(=O)Nc3cccnc3)[nH]c12.
What is the InChIKey of 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is KLLZJBILIOZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-9-3-5-16-10-6-11(18-12(9)10)13(19)17-8-2-1-4-15-7-8/h1-7,18H,(H2,14,16)(H,17,19).
What are the key properties of 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 170995124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).