N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

C21H28N4O — CID 109237072

IUPACN-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-25(13-10-17-8-11-22-12-9-17)20-14-18(15-23-16-20)21(26)24-19-6-4-2-3-5-7-19/h8-9,11-12,14-16,19H,2-7,10,13H2,1H3,(H,24,26)
InChIKeyFIBKPHVSYHIPJJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds6

About N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109237072) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109237072
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-25(13-10-17-8-11-22-12-9-17)20-14-18(15-23-16-20)21(26)24-19-6-4-2-3-5-7-19/h8-9,11-12,14-16,19H,2-7,10,13H2,1H3,(H,24,26)
InChIKeyFIBKPHVSYHIPJJ-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 109223633
N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109237072) is N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is CN(CCc1ccncc1)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is FIBKPHVSYHIPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-25(13-10-17-8-11-22-12-9-17)20-14-18(15-23-16-20)21(26)24-19-6-4-2-3-5-7-19/h8-9,11-12,14-16,19H,2-7,10,13H2,1H3,(H,24,26).
What are the key properties of N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).