2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide

C23H26N6O — CID 59857690

IUPAC2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide
SMILESCC#CCn1c(C(=O)NCc2cnc3ccccc3c2)cnc1N1CCCC(N)C1
InChIInChI=1S/C23H26N6O/c1-2-3-11-29-21(15-27-23(29)28-10-6-8-19(24)16-28)22(30)26-14-17-12-18-7-4-5-9-20(18)25-13-17/h4-5,7,9,12-13,15,19H,6,8,10-11,14,16,24H2,1H3,(H,26,30)
InChIKeyFRSXNAVSUWTGMU-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.31
Rot. Bonds5

About 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide

2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide (PubChem CID 59857690) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide
PubChem CID59857690
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide
SMILESCC#CCn1c(C(=O)NCc2cnc3ccccc3c2)cnc1N1CCCC(N)C1
InChIInChI=1S/C23H26N6O/c1-2-3-11-29-21(15-27-23(29)28-10-6-8-19(24)16-28)22(30)26-14-17-12-18-7-4-5-9-20(18)25-13-17/h4-5,7,9,12-13,15,19H,6,8,10-11,14,16,24H2,1H3,(H,26,30)
InChIKeyFRSXNAVSUWTGMU-UHFFFAOYSA-N
XLogP2.31
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-phenanthridin-6-ylimidazole-4-carboxamide
CID 11641011
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-naphthalen-1-ylimidazole-4-carboxamide
CID 11603742
5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-(phenanthren-9-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 59857698
2-[(3R)-3-aminopiperidin-1-yl]-5-(3-aminopropylamino)-3-but-2-ynyl-N-[(4-methoxyphenyl)methyl]imidazole-4-carboxamide
CID 67969043
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-2-hydroxy-3-methyl-1-(quinazolin-2-ylmethyl)-2H-purin-6-one
CID 126669826
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(2-phenylethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054526
2-(3-aminopiperidin-1-yl)-N-(7H-benzo[d][1,3]benzodiazepin-6-ylmethyl)-3-but-2-ynyl-5-(methylamino)imidazole-4-carboxamide
CID 70888333
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione
CID 11442459
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-(quinolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-one
CID 71583065
2-[8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 68830365
acetic acid;8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
CID 46829580
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(2-methylquinazolin-4-yl)methyl]purine-2,6-dione
CID 68861540

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide (CID 59857690) is 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide is CC#CCn1c(C(=O)NCc2cnc3ccccc3c2)cnc1N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide?
The InChIKey is FRSXNAVSUWTGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-2-3-11-29-21(15-27-23(29)28-10-6-8-19(24)16-28)22(30)26-14-17-12-18-7-4-5-9-20(18)25-13-17/h4-5,7,9,12-13,15,19H,6,8,10-11,14,16,24H2,1H3,(H,26,30).
What are the key properties of 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide?
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-(quinolin-3-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 59857690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).