N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide

C18H21N5O — CID 176661498

IUPACN-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide
SMILESNc1cncc(-n2ccc3cc(CCCCCNC=O)cnc32)c1
InChIInChI=1S/C18H21N5O/c19-16-9-17(12-21-11-16)23-7-5-15-8-14(10-22-18(15)23)4-2-1-3-6-20-13-24/h5,7-13H,1-4,6,19H2,(H,20,24)
InChIKeyWGFZNZJUZPBSTB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.46
Rot. Bonds8

About N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide

N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide (PubChem CID 176661498) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide.

Molecular Properties

Compound NameN-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide
PubChem CID176661498
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide
SMILESNc1cncc(-n2ccc3cc(CCCCCNC=O)cnc32)c1
InChIInChI=1S/C18H21N5O/c19-16-9-17(12-21-11-16)23-7-5-15-8-14(10-22-18(15)23)4-2-1-3-6-20-13-24/h5,7-13H,1-4,6,19H2,(H,20,24)
InChIKeyWGFZNZJUZPBSTB-UHFFFAOYSA-N
XLogP2.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide?
The IUPAC name of N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide (CID 176661498) is N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide.
What is the SMILES notation for N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide?
The canonical SMILES for N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide is Nc1cncc(-n2ccc3cc(CCCCCNC=O)cnc32)c1.
What is the InChIKey of N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide?
The InChIKey is WGFZNZJUZPBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-16-9-17(12-21-11-16)23-7-5-15-8-14(10-22-18(15)23)4-2-1-3-6-20-13-24/h5,7-13H,1-4,6,19H2,(H,20,24).
What are the key properties of N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide?
N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide has a molecular weight of 323.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide is sourced from PubChem (CID 176661498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).