N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C16H23N5O — CID 71010276

IUPACN-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCNCC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C16H23N5O/c22-16(15-11-13-12-18-5-3-14(13)20-15)19-4-1-2-8-21-9-6-17-7-10-21/h3,5,11-12,17,20H,1-2,4,6-10H2,(H,19,22)
InChIKeyJLMYINJELLYUSK-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.98
Rot. Bonds6

About N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 71010276) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID71010276
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCN1CCNCC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C16H23N5O/c22-16(15-11-13-12-18-5-3-14(13)20-15)19-4-1-2-8-21-9-6-17-7-10-21/h3,5,11-12,17,20H,1-2,4,6-10H2,(H,19,22)
InChIKeyJLMYINJELLYUSK-UHFFFAOYSA-N
XLogP0.98
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70983957
N-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pentyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 162515621
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 174673242
5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide
CID 138533305
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239
5-piperazin-1-ylpentylcarbamic acid
CID 166666960

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 71010276) is N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCN1CCNCC1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is JLMYINJELLYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-16(15-11-13-12-18-5-3-14(13)20-15)19-4-1-2-8-21-9-6-17-7-10-21/h3,5,11-12,17,20H,1-2,4,6-10H2,(H,19,22).
What are the key properties of N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 71010276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).