N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide

C23H31N3O — CID 68951696

IUPACN-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCC(CC1CCCCCC1)NCc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C23H31N3O/c1-18(16-19-8-4-2-3-5-9-19)25-17-21-10-6-7-11-22(21)26-23(27)20-12-14-24-15-13-20/h6-7,10-15,18-19,25H,2-5,8-9,16-17H2,1H3,(H,26,27)
InChIKeyPHXHRILOGRHAQW-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.17
Rot. Bonds7

About N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide

N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 68951696) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
PubChem CID68951696
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCC(CC1CCCCCC1)NCc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C23H31N3O/c1-18(16-19-8-4-2-3-5-9-19)25-17-21-10-6-7-11-22(21)26-23(27)20-12-14-24-15-13-20/h6-7,10-15,18-19,25H,2-5,8-9,16-17H2,1H3,(H,26,27)
InChIKeyPHXHRILOGRHAQW-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 68949106
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 68948097
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
CID 68953823
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
4-(benzenesulfonyl)-N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]piperazine-1-carboxamide
CID 68953647
2-(4-chlorophenyl)sulfonyl-1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]guanidine
CID 87633952

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide (CID 68951696) is N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide is CC(CC1CCCCCC1)NCc1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is PHXHRILOGRHAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(16-19-8-4-2-3-5-9-19)25-17-21-10-6-7-11-22(21)26-23(27)20-12-14-24-15-13-20/h6-7,10-15,18-19,25H,2-5,8-9,16-17H2,1H3,(H,26,27).
What are the key properties of N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 68951696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).