N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

C21H27N3O3 — CID 109204797

IUPACN-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-22-17-11-12-23-20(15-17)21(25)24-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyFUTYGVCAIZTAGP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.64
Rot. Bonds8

About N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (PubChem CID 109204797) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
PubChem CID109204797
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-22-17-11-12-23-20(15-17)21(25)24-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyFUTYGVCAIZTAGP-UHFFFAOYSA-N
XLogP3.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216786
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (CID 109204797) is N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is COc1ccc(OCCNc2ccnc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The InChIKey is FUTYGVCAIZTAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-7-9-19(10-8-18)27-14-13-22-17-11-12-23-20(15-17)21(25)24-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109204797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).