N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide

C21H28N4O2 — CID 134700861

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNHSBHKODEOPWSQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.23
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 134700861) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
PubChem CID134700861
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNHSBHKODEOPWSQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9390698
N-[(2-methoxyphenyl)methyl]-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91829279

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide (CID 134700861) is N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide is COc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is NHSBHKODEOPWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 134700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).