6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C25H25ClN4O3 — CID 166131077

About 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 166131077) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
• PubChem CID: 166131077
• Molecular Formula: C25H25ClN4O3
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.16
• IUPAC Name: 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)c2ccc(-c3ccc(N(CC4CC4)C(C)=O)c(Cl)c3)nc2)cn1
• InChI: InChI=1S/C25H25ClN4O3/c1-16(31)30(15-17-3-4-17)23-9-7-19(11-21(23)26)22-8-6-20(14-27-22)25(32)29-13-18-5-10-24(33-2)28-12-18/h5-12,14,17H,3-4,13,15H2,1-2H3,(H,29,32)
• InChIKey: RHGIGRRFPHWLSK-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 166131077) is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccc(N(CC4CC4)C(C)=O)c(Cl)c3)nc2)cn1.

What is the InChIKey of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?

The InChIKey is RHGIGRRFPHWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-16(31)30(15-17-3-4-17)23-9-7-19(11-21(23)26)22-8-6-20(14-27-22)25(32)29-13-18-5-10-24(33-2)28-12-18/h5-12,14,17H,3-4,13,15H2,1-2H3,(H,29,32).

What are the key properties of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 464.95 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166131077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).