N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide

C22H26N4O — CID 47043373

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C22H26N4O/c23-15-19-7-5-18(6-8-19)10-12-22(27)25-17-20-9-11-21(24-16-20)26-13-3-1-2-4-14-26/h5-9,11,16H,1-4,10,12-14,17H2,(H,25,27)
InChIKeyKBGXMOKKPSEVOP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.58
Rot. Bonds6

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide (PubChem CID 47043373) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
PubChem CID47043373
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C22H26N4O/c23-15-19-7-5-18(6-8-19)10-12-22(27)25-17-20-9-11-21(24-16-20)26-13-3-1-2-4-14-26/h5-9,11,16H,1-4,10,12-14,17H2,(H,25,27)
InChIKeyKBGXMOKKPSEVOP-UHFFFAOYSA-N
XLogP3.58
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 55847105
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 154774754
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56512779
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide (CID 47043373) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide is N#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide?
The InChIKey is KBGXMOKKPSEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-15-19-7-5-18(6-8-19)10-12-22(27)25-17-20-9-11-21(24-16-20)26-13-3-1-2-4-14-26/h5-9,11,16H,1-4,10,12-14,17H2,(H,25,27).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide is sourced from PubChem (CID 47043373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).