N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C14H15N5O — CID 110474998

IUPACN-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H15N5O/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-18-13-11(12)3-1-4-16-13/h1,3-4,6,8-10H,2,5,7H2,(H,16,18)(H,17,20)
InChIKeyJUUSPPMHMABHSG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.58
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110474998) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110474998
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H15N5O/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-18-13-11(12)3-1-4-16-13/h1,3-4,6,8-10H,2,5,7H2,(H,16,18)(H,17,20)
InChIKeyJUUSPPMHMABHSG-UHFFFAOYSA-N
XLogP1.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 110205681
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
3-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propan-1-amine
CID 59506750
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110474998) is N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JUUSPPMHMABHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-18-13-11(12)3-1-4-16-13/h1,3-4,6,8-10H,2,5,7H2,(H,16,18)(H,17,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110474998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).