N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide

C22H24N4O — CID 3339911

IUPACN-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(24-21-7-6-19-4-1-2-5-20(19)16-21)26-13-3-12-25(14-15-26)17-18-8-10-23-11-9-18/h1-2,4-11,16H,3,12-15,17H2,(H,24,27)
InChIKeyNOPNWHFMZHPRFH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.97
Rot. Bonds3

About N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide

N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide (PubChem CID 3339911) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
PubChem CID3339911
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(24-21-7-6-19-4-1-2-5-20(19)16-21)26-13-3-12-25(14-15-26)17-18-8-10-23-11-9-18/h1-2,4-11,16H,3,12-15,17H2,(H,24,27)
InChIKeyNOPNWHFMZHPRFH-UHFFFAOYSA-N
XLogP3.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
CID 3520741
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 154773809
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
CID 5043777
4-(pyridin-4-ylmethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 126774966
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-isoquinolin-5-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 78871875
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60577718
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 60545741
4-[(4-tert-butylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23818837

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide (CID 3339911) is N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2ccncc2)CC1.
What is the InChIKey of N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is NOPNWHFMZHPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-21-7-6-19-4-1-2-5-20(19)16-21)26-13-3-12-25(14-15-26)17-18-8-10-23-11-9-18/h1-2,4-11,16H,3,12-15,17H2,(H,24,27).
What are the key properties of N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide?
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 3339911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).