2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C29H33N7O3 — CID 142325961

About 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142325961) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 142325961
• Molecular Formula: C29H33N7O3
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.26
• IUPAC Name: 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: CN(C)CCOc1ccc2cc(C(=O)N3CC[C@@H](NC(=O)c4cc(-c5cnn(C)c5)cnc4N)C3)ccc2c1
• InChI: InChI=1S/C29H33N7O3/c1-34(2)10-11-39-25-7-6-19-12-21(5-4-20(19)13-25)29(38)36-9-8-24(18-36)33-28(37)26-14-22(15-31-27(26)30)23-16-32-35(3)17-23/h4-7,12-17,24H,8-11,18H2,1-3H3,(H2,30,31)(H,33,37)/t24-/m1/s1
• InChIKey: CPVFGGFSGCPNEN-XMMPIXPASA-N
• XLogP: 2.80
• TPSA: 118.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142325961) is 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CN(C)CCOc1ccc2cc(C(=O)N3CC[C@@H](NC(=O)c4cc(-c5cnn(C)c5)cnc4N)C3)ccc2c1.

What is the InChIKey of 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is CPVFGGFSGCPNEN-XMMPIXPASA-N. The full InChI is InChI=1S/C29H33N7O3/c1-34(2)10-11-39-25-7-6-19-12-21(5-4-20(19)13-25)29(38)36-9-8-24(18-36)33-28(37)26-14-22(15-31-27(26)30)23-16-32-35(3)17-23/h4-7,12-17,24H,8-11,18H2,1-3H3,(H2,30,31)(H,33,37)/t24-/m1/s1.

What are the key properties of 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(3R)-1-[6-[2-(dimethylamino)ethoxy]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142325961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).