4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide

C19H24N4O2 — CID 133313581

IUPAC4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCCN(c3ccnc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-5-3-15(4-6-17)14-22-9-2-10-23(12-11-22)16-7-8-21-18(13-16)19(20)24/h3-8,13H,2,9-12,14H2,1H3,(H2,20,24)
InChIKeyBLXLZUKATLFLGC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.90
Rot. Bonds5

About 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide

4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide (PubChem CID 133313581) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
PubChem CID133313581
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCCN(c3ccnc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-5-3-15(4-6-17)14-22-9-2-10-23(12-11-22)16-7-8-21-18(13-16)19(20)24/h3-8,13H,2,9-12,14H2,1H3,(H2,20,24)
InChIKeyBLXLZUKATLFLGC-UHFFFAOYSA-N
XLogP1.90
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 133313578
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 24620157
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158
6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-methylpyrimidin-4-amine
CID 138022474
7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18133135

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide (CID 133313581) is 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide is COc1ccc(CN2CCCN(c3ccnc(C(N)=O)c3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The InChIKey is BLXLZUKATLFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-5-3-15(4-6-17)14-22-9-2-10-23(12-11-22)16-7-8-21-18(13-16)19(20)24/h3-8,13H,2,9-12,14H2,1H3,(H2,20,24).
What are the key properties of 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide?
4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133313581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).