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

C21H28N4O — CID 109214735

IUPACN-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-25(15-11-17-8-12-22-13-9-17)19-10-14-23-20(16-19)21(26)24-18-6-4-2-3-5-7-18/h8-10,12-14,16,18H,2-7,11,15H2,1H3,(H,24,26)
InChIKeyRPWGDTJSFUTLQM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds6

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

N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (PubChem CID 109214735) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
PubChem CID109214735
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)c1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-25(15-11-17-8-12-22-13-9-17)19-10-14-23-20(16-19)21(26)24-18-6-4-2-3-5-7-18/h8-10,12-14,16,18H,2-7,11,15H2,1H3,(H,24,26)
InChIKeyRPWGDTJSFUTLQM-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-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (CID 109214735) is N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is CN(CCc1ccncc1)c1ccnc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The InChIKey is RPWGDTJSFUTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-25(15-11-17-8-12-22-13-9-17)19-10-14-23-20(16-19)21(26)24-18-6-4-2-3-5-7-18/h8-10,12-14,16,18H,2-7,11,15H2,1H3,(H,24,26).
What are the key properties of N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-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-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109214735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).