N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H17N5O — CID 81407011

About N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 81407011) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 81407011
• Molecular Formula: C14H17N5O
• Molecular Weight: 271.32 g/mol
• Exact Mass: 271.14
• IUPAC Name: N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: C[C@H](NC(=O)C1Cc2nc[nH]c2CN1)c1ccccn1
• InChI: InChI=1S/C14H17N5O/c1-9(10-4-2-3-5-15-10)19-14(20)12-6-11-13(7-16-12)18-8-17-11/h2-5,8-9,12,16H,6-7H2,1H3,(H,17,18)(H,19,20)/t9-,12?/m0/s1
• InChIKey: PGQQPCQYVPIFDS-QHGLUPRGSA-N
• XLogP: 0.70
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.32
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 81407011) is N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is C[C@H](NC(=O)C1Cc2nc[nH]c2CN1)c1ccccn1.

What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is PGQQPCQYVPIFDS-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(10-4-2-3-5-15-10)19-14(20)12-6-11-13(7-16-12)18-8-17-11/h2-5,8-9,12,16H,6-7H2,1H3,(H,17,18)(H,19,20)/t9-,12?/m0/s1.

What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 81407011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).