2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide

C16H21N5O — CID 95780447

About 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide

2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 95780447) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
• PubChem CID: 95780447
• Molecular Formula: C16H21N5O
• Molecular Weight: 299.38 g/mol
• Exact Mass: 299.17
• IUPAC Name: 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
• SMILES: CC(C)Nc1ncccc1C(=O)N[C@H]1CCc2nccn2C1
• InChI: InChI=1S/C16H21N5O/c1-11(2)19-15-13(4-3-7-18-15)16(22)20-12-5-6-14-17-8-9-21(14)10-12/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,18,19)(H,20,22)/t12-/m0/s1
• InChIKey: HLMYQSZIWCMXHO-LBPRGKRZSA-N
• XLogP: 1.84
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.38
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide (CID 95780447) is 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)N[C@H]1CCc2nccn2C1.

What is the InChIKey of 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

The InChIKey is HLMYQSZIWCMXHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)19-15-13(4-3-7-18-15)16(22)20-12-5-6-14-17-8-9-21(14)10-12/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,18,19)(H,20,22)/t12-/m0/s1.

What are the key properties of 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide?

2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95780447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).