N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C22H29N3O2 — CID 109214453

IUPACN-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1cccc(CCNc2ccnc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-27-20-10-6-7-17(15-20)11-13-23-19-12-14-24-21(16-19)22(26)25-18-8-4-2-3-5-9-18/h6-7,10,12,14-16,18H,2-5,8-9,11,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyNFHQYJQKELLTQC-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.20
Rot. Bonds7

About N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214453) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214453
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1cccc(CCNc2ccnc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-27-20-10-6-7-17(15-20)11-13-23-19-12-14-24-21(16-19)22(26)25-18-8-4-2-3-5-9-18/h6-7,10,12,14-16,18H,2-5,8-9,11,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyNFHQYJQKELLTQC-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

N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
CID 112983603
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214474
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109214453) is N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1cccc(CCNc2ccnc(C(=O)NC3CCCCCC3)c2)c1.
What is the InChIKey of N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is NFHQYJQKELLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-20-10-6-7-17(15-20)11-13-23-19-12-14-24-21(16-19)22(26)25-18-8-4-2-3-5-9-18/h6-7,10,12,14-16,18H,2-5,8-9,11,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-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-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).