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

C20H29N5O — CID 95200014

IUPAC6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC[C@H]2C)nc1
InChIInChI=1S/C20H29N5O/c1-15(2)19-21-10-13-24(19)11-5-9-22-20(26)17-7-8-18(23-14-17)25-12-4-6-16(25)3/h7-8,10,13-16H,4-6,9,11-12H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyKAILXCALVYXVNZ-MRXNPFEDSA-N
MW355.49 g/mol
LogP3.21
Rot. Bonds7

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

6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 95200014) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID95200014
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC[C@H]2C)nc1
InChIInChI=1S/C20H29N5O/c1-15(2)19-21-10-13-24(19)11-5-9-22-20(26)17-7-8-18(23-14-17)25-12-4-6-16(25)3/h7-8,10,13-16H,4-6,9,11-12H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyKAILXCALVYXVNZ-MRXNPFEDSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(4S)-4-methylazepan-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95197886
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758064
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 95200014) is 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC[C@H]2C)nc1.
What is the InChIKey of 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is KAILXCALVYXVNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15(2)19-21-10-13-24(19)11-5-9-22-20(26)17-7-8-18(23-14-17)25-12-4-6-16(25)3/h7-8,10,13-16H,4-6,9,11-12H2,1-3H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 95200014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).