6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C20H30N6O — CID 56755506

IUPAC6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CCN1
InChIInChI=1S/C20H30N6O/c1-15(2)19-22-9-11-25(19)10-4-7-23-20(27)17-5-6-18(24-13-17)26-12-8-21-16(3)14-26/h5-6,9,11,13,15-16,21H,4,7-8,10,12,14H2,1-3H3,(H,23,27)
InChIKeyURJYHEBLHUHJIG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.02
Rot. Bonds7

About 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 56755506) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID56755506
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CCN1
InChIInChI=1S/C20H30N6O/c1-15(2)19-22-9-11-25(19)10-4-7-23-20(27)17-5-6-18(24-13-17)26-12-8-21-16(3)14-26/h5-6,9,11,13,15-16,21H,4,7-8,10,12,14H2,1-3H3,(H,23,27)
InChIKeyURJYHEBLHUHJIG-UHFFFAOYSA-N
XLogP2.02
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758064
6-[(4S)-4-methylazepan-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95197886
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 56755506) is 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CCN1.
What is the InChIKey of 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is URJYHEBLHUHJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15(2)19-22-9-11-25(19)10-4-7-23-20(27)17-5-6-18(24-13-17)26-12-8-21-16(3)14-26/h5-6,9,11,13,15-16,21H,4,7-8,10,12,14H2,1-3H3,(H,23,27).
What are the key properties of 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).