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

C17H28N4O — CID 91765215

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCCN(C)CC1)c1ncccc1C
InChIInChI=1S/C17H28N4O/c1-4-15(17-14(2)7-5-8-18-17)19-16(22)13-21-10-6-9-20(3)11-12-21/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,22)
InChIKeyFJYMLNIGFTVKTD-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.59
Rot. Bonds5

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

2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide (PubChem CID 91765215) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
PubChem CID91765215
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCCN(C)CC1)c1ncccc1C
InChIInChI=1S/C17H28N4O/c1-4-15(17-14(2)7-5-8-18-17)19-16(22)13-21-10-6-9-20(3)11-12-21/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,22)
InChIKeyFJYMLNIGFTVKTD-UHFFFAOYSA-N
XLogP1.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 91761816
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605
2-[2-methoxyethyl(methyl)amino]-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 125443954
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 124860560
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 131947582
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310
1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
CID 118773094

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide (CID 91765215) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide is CCC(NC(=O)CN1CCCN(C)CC1)c1ncccc1C.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide?
The InChIKey is FJYMLNIGFTVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-15(17-14(2)7-5-8-18-17)19-16(22)13-21-10-6-9-20(3)11-12-21/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide is sourced from PubChem (CID 91765215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).