N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

C22H24N4O — CID 74224967

IUPACN-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2cccnc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(24-21-9-8-19-6-1-2-7-20(19)15-21)26-12-4-11-25(13-14-26)17-18-5-3-10-23-16-18/h1-3,5-10,15-16H,4,11-14,17H2,(H,24,27)
InChIKeyLWRQMKFATFHBRG-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.97
Rot. Bonds3

About N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (PubChem CID 74224967) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
PubChem CID74224967
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2cccnc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(24-21-9-8-19-6-1-2-7-20(19)15-21)26-12-4-11-25(13-14-26)17-18-5-3-10-23-16-18/h1-3,5-10,15-16H,4,11-14,17H2,(H,24,27)
InChIKeyLWRQMKFATFHBRG-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-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
CID 3520741
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
N-(3-ethylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 23823523
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (CID 74224967) is N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2cccnc2)CC1.
What is the InChIKey of N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is LWRQMKFATFHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-21-9-8-19-6-1-2-7-20(19)15-21)26-12-4-11-25(13-14-26)17-18-5-3-10-23-16-18/h1-3,5-10,15-16H,4,11-14,17H2,(H,24,27).
What are the key properties of N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
N-naphthalen-2-yl-4-(pyridin-3-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-3-ylmethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 74224967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).