6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C18H28N4O — CID 29028028

About 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 29028028) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 29028028
• Molecular Formula: C18H28N4O
• Molecular Weight: 316.45 g/mol
• Exact Mass: 316.23
• IUPAC Name: 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CC3)nc2)C1
• InChI: InChI=1S/C18H28N4O/c1-13(2)11-22-8-7-14(12-22)9-20-18(23)15-3-6-17(19-10-15)21-16-4-5-16/h3,6,10,13-14,16H,4-5,7-9,11-12H2,1-2H3,(H,19,21)(H,20,23)/t14-/m0/s1
• InChIKey: VFKIAGLXPWQVSC-AWEZNQCLSA-N
• XLogP: 2.36
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.45
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 29028028) is 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CC3)nc2)C1.

What is the InChIKey of 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is VFKIAGLXPWQVSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)11-22-8-7-14(12-22)9-20-18(23)15-3-6-17(19-10-15)21-16-4-5-16/h3,6,10,13-14,16H,4-5,7-9,11-12H2,1-2H3,(H,19,21)(H,20,23)/t14-/m0/s1.

What are the key properties of 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 29028028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).