N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide

C20H25N3O — CID 124614551

IUPACN-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
SMILESC[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C20H25N3O/c1-15(19-12-5-6-13-21-19)22-17-10-7-11-18(14-17)23-20(24)16-8-3-2-4-9-16/h5-7,10-16,22H,2-4,8-9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyGRIVWBSFOBFSFC-HNNXBMFYSA-N
MW323.44 g/mol
LogP4.77
Rot. Bonds5

About N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide

N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide (PubChem CID 124614551) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
PubChem CID124614551
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
SMILESC[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C20H25N3O/c1-15(19-12-5-6-13-21-19)22-17-10-7-11-18(14-17)23-20(24)16-8-3-2-4-9-16/h5-7,10-16,22H,2-4,8-9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyGRIVWBSFOBFSFC-HNNXBMFYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 53200695
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 106756909
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide (CID 124614551) is N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide is C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccn1.
What is the InChIKey of N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide?
The InChIKey is GRIVWBSFOBFSFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(19-12-5-6-13-21-19)22-17-10-7-11-18(14-17)23-20(24)16-8-3-2-4-9-16/h5-7,10-16,22H,2-4,8-9H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide?
N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 124614551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).