2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide

C17H27N5O2 — CID 134704499

IUPAC2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCCN(CC(=O)N(C)C)CC2)nc1C
InChIInChI=1S/C17H27N5O2/c1-12-10-14(16(18)24)17(19-13(12)2)22-7-5-6-21(8-9-22)11-15(23)20(3)4/h10H,5-9,11H2,1-4H3,(H2,18,24)
InChIKeyHOLSXGJHYBUZJI-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide

2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 134704499) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID134704499
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCCN(CC(=O)N(C)C)CC2)nc1C
InChIInChI=1S/C17H27N5O2/c1-12-10-14(16(18)24)17(19-13(12)2)22-7-5-6-21(8-9-22)11-15(23)20(3)4/h10H,5-9,11H2,1-4H3,(H2,18,24)
InChIKeyHOLSXGJHYBUZJI-UHFFFAOYSA-N
XLogP0.40
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
2-[4-(6-amino-2-butylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 72916955
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
CID 17465237
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
CID 135088257
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide (CID 134704499) is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCCN(CC(=O)N(C)C)CC2)nc1C.
What is the InChIKey of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is HOLSXGJHYBUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-10-14(16(18)24)17(19-13(12)2)22-7-5-6-21(8-9-22)11-15(23)20(3)4/h10H,5-9,11H2,1-4H3,(H2,18,24).
What are the key properties of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide?
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 134704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).