N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide

C22H29N3O2 — CID 109173025

IUPACN-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NC3CCCCCC3)ccn2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-20-10-8-17(9-11-20)12-14-23-21-16-18(13-15-24-21)22(26)25-19-6-4-2-3-5-7-19/h8-11,13,15-16,19H,2-7,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyFVSOOTDHZUBFOA-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.20
Rot. Bonds7

About N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide

N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109173025) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109173025
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NC3CCCCCC3)ccn2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-20-10-8-17(9-11-20)12-14-23-21-16-18(13-15-24-21)22(26)25-19-6-4-2-3-5-7-19/h8-11,13,15-16,19H,2-7,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyFVSOOTDHZUBFOA-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide (CID 109173025) is N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)NC3CCCCCC3)ccn2)cc1.
What is the InChIKey of N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is FVSOOTDHZUBFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-20-10-8-17(9-11-20)12-14-23-21-16-18(13-15-24-21)22(26)25-19-6-4-2-3-5-7-19/h8-11,13,15-16,19H,2-7,12,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109173025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).