3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C19H30Cl2N4O — CID 119841355

About 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119841355) has the molecular formula C19H30Cl2N4O and a molecular weight of 401.38 g/mol. Its IUPAC name is 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
• PubChem CID: 119841355
• Molecular Formula: C19H30Cl2N4O
• Molecular Weight: 401.38 g/mol
• Exact Mass: 400.18
• IUPAC Name: 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
• SMILES: Cl.Cl.NC1C2CCC(C2)C1C(=O)NCc1ccnc(N2CCCCC2)c1
• InChI: InChI=1S/C19H28N4O.2ClH/c20-18-15-5-4-14(11-15)17(18)19(24)22-12-13-6-7-21-16(10-13)23-8-2-1-3-9-23;;/h6-7,10,14-15,17-18H,1-5,8-9,11-12,20H2,(H,22,24);2*1H
• InChIKey: XBVKMNDVKBDYCU-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.38
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?

The IUPAC name of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119841355) is 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

What is the SMILES notation for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?

The canonical SMILES for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)NCc1ccnc(N2CCCCC2)c1.

What is the InChIKey of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?

The InChIKey is XBVKMNDVKBDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.2ClH/c20-18-15-5-4-14(11-15)17(18)19(24)22-12-13-6-7-21-16(10-13)23-8-2-1-3-9-23;;/h6-7,10,14-15,17-18H,1-5,8-9,11-12,20H2,(H,22,24);2*1H.

What are the key properties of 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 401.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119841355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).