N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride

C17H25Cl2N5O — CID 154896503

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride (PubChem CID 154896503) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride
• PubChem CID: 154896503
• Molecular Formula: C17H25Cl2N5O
• Molecular Weight: 386.33 g/mol
• Exact Mass: 385.14
• IUPAC Name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride
• SMILES: CCCc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)n[nH]1.Cl.Cl
• InChI: InChI=1S/C17H23N5O.2ClH/c1-3-4-13-7-16(22-21-13)17(23)20-10-15-11(2)19-9-12-8-18-6-5-14(12)15;;/h7,9,18H,3-6,8,10H2,1-2H3,(H,20,23)(H,21,22);2*1H
• InChIKey: GPGYHKKQPFSKJJ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.33
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride?

The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride (CID 154896503) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride.

What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride?

The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride is CCCc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)n[nH]1.Cl.Cl.

What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride?

The InChIKey is GPGYHKKQPFSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-3-4-13-7-16(22-21-13)17(23)20-10-15-11(2)19-9-12-8-18-6-5-14(12)15;;/h7,9,18H,3-6,8,10H2,1-2H3,(H,20,23)(H,21,22);2*1H.

What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride?

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154896503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).