N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

C28H33N3O2 — CID 45178137

IUPACN-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCc1ccc(CN2CCC(C(Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1
InChIInChI=1S/C28H33N3O2/c1-21-10-13-25(33-21)20-30-17-14-23(15-18-30)27(19-22-7-3-2-4-8-22)31(24-11-12-24)28(32)26-9-5-6-16-29-26/h2-10,13,16,23-24,27H,11-12,14-15,17-20H2,1H3
InChIKeyWIJBSOGQTKKXJC-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.11
Rot. Bonds8

About N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 45178137) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
PubChem CID45178137
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCc1ccc(CN2CCC(C(Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1
InChIInChI=1S/C28H33N3O2/c1-21-10-13-25(33-21)20-30-17-14-23(15-18-30)27(19-22-7-3-2-4-8-22)31(24-11-12-24)28(32)26-9-5-6-16-29-26/h2-10,13,16,23-24,27H,11-12,14-15,17-20H2,1H3
InChIKeyWIJBSOGQTKKXJC-UHFFFAOYSA-N
XLogP5.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-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 N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (CID 45178137) is N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is Cc1ccc(CN2CCC(C(Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is WIJBSOGQTKKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-21-10-13-25(33-21)20-30-17-14-23(15-18-30)27(19-22-7-3-2-4-8-22)31(24-11-12-24)28(32)26-9-5-6-16-29-26/h2-10,13,16,23-24,27H,11-12,14-15,17-20H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 45178137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).