1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide

C22H30N4O — CID 137161570

About 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 137161570) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

• Compound Name: 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide
• PubChem CID: 137161570
• Molecular Formula: C22H30N4O
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.24
• IUPAC Name: 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide
• SMILES: CC(=O)N1CCC(NCC2CC2)=C(/C(N)=N/c2ccc3c(c2)CCCC3)C1
• InChI: InChI=1S/C22H30N4O/c1-15(27)26-11-10-21(24-13-16-6-7-16)20(14-26)22(23)25-19-9-8-17-4-2-3-5-18(17)12-19/h8-9,12,16,24H,2-7,10-11,13-14H2,1H3,(H2,23,25)
• InChIKey: HLEPSSAODHSFHD-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 70.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The IUPAC name of 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 137161570) is 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide.

What is the SMILES notation for 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The canonical SMILES for 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide is CC(=O)N1CCC(NCC2CC2)=C(/C(N)=N/c2ccc3c(c2)CCCC3)C1.

What is the InChIKey of 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The InChIKey is HLEPSSAODHSFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15(27)26-11-10-21(24-13-16-6-7-16)20(14-26)22(23)25-19-9-8-17-4-2-3-5-18(17)12-19/h8-9,12,16,24H,2-7,10-11,13-14H2,1H3,(H2,23,25).

What are the key properties of 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?

1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 366.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-4-(cyclopropylmethylamino)-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 137161570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).