4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide

C24H33N3O — CID 92556031

IUPAC4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCCN2CCCCCC2)c2ccncc2)c1
InChIInChI=1S/C24H33N3O/c1-19-9-10-20(2)22(18-19)24(21-11-13-25-14-12-21)26-23(28)8-7-17-27-15-5-3-4-6-16-27/h9-14,18,24H,3-8,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyXFYLRCDGTONMDR-XMMPIXPASA-N
MW379.55 g/mol
LogP4.56
Rot. Bonds7

About 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide

4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide (PubChem CID 92556031) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
PubChem CID92556031
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCCN2CCCCCC2)c2ccncc2)c1
InChIInChI=1S/C24H33N3O/c1-19-9-10-20(2)22(18-19)24(21-11-13-25-14-12-21)26-23(28)8-7-17-27-15-5-3-4-6-16-27/h9-14,18,24H,3-8,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyXFYLRCDGTONMDR-XMMPIXPASA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
CID 51584924
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558587
N-[(R)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558586
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 125159123
(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(S)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 51584917
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide (CID 92556031) is 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide is Cc1ccc(C)c([C@H](NC(=O)CCCN2CCCCCC2)c2ccncc2)c1.
What is the InChIKey of 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide?
The InChIKey is XFYLRCDGTONMDR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33N3O/c1-19-9-10-20(2)22(18-19)24(21-11-13-25-14-12-21)26-23(28)8-7-17-27-15-5-3-4-6-16-27/h9-14,18,24H,3-8,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide?
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide has a molecular weight of 379.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide is sourced from PubChem (CID 92556031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).