6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide

C25H24ClFN4O2 — CID 166130990

IUPAC6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCc3ccc(Cl)nc3)cn2)cc1F
InChIInChI=1S/C25H24ClFN4O2/c1-16(32)31(15-18-2-3-18)23-8-6-19(12-21(23)27)22-7-5-20(14-29-22)25(33)28-11-10-17-4-9-24(26)30-13-17/h4-9,12-14,18H,2-3,10-11,15H2,1H3,(H,28,33)
InChIKeyMDVSKZJIMSGCNS-UHFFFAOYSA-N
MW466.94 g/mol
LogP4.67
Rot. Bonds8

About 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide

6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 166130990) has the molecular formula C25H24ClFN4O2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
PubChem CID166130990
Molecular FormulaC25H24ClFN4O2
Molecular Weight466.94 g/mol
Exact Mass466.16
IUPAC Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCc3ccc(Cl)nc3)cn2)cc1F
InChIInChI=1S/C25H24ClFN4O2/c1-16(32)31(15-18-2-3-18)23-8-6-19(12-21(23)27)22-7-5-20(14-29-22)25(33)28-11-10-17-4-9-24(26)30-13-17/h4-9,12-14,18H,2-3,10-11,15H2,1H3,(H,28,33)
InChIKeyMDVSKZJIMSGCNS-UHFFFAOYSA-N
XLogP4.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide (CID 166130990) is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide is CC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCc3ccc(Cl)nc3)cn2)cc1F.
What is the InChIKey of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MDVSKZJIMSGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O2/c1-16(32)31(15-18-2-3-18)23-8-6-19(12-21(23)27)22-7-5-20(14-29-22)25(33)28-11-10-17-4-9-24(26)30-13-17/h4-9,12-14,18H,2-3,10-11,15H2,1H3,(H,28,33).
What are the key properties of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide?
6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 466.94 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166130990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).