(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide

C15H21N5O3 — CID 124945127

IUPAC(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C15H21N5O3/c1-10-6-18-13(7-17-10)15(23)20-5-4-19(11(2)21)8-12(9-20)14(22)16-3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,22)/t12-/m0/s1
InChIKeyBOSXWZMYXVSEEE-LBPRGKRZSA-N
MW319.37 g/mol
LogP-0.55
Rot. Bonds2

About (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide

(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 124945127) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID124945127
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C15H21N5O3/c1-10-6-18-13(7-17-10)15(23)20-5-4-19(11(2)21)8-12(9-20)14(22)16-3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,22)/t12-/m0/s1
InChIKeyBOSXWZMYXVSEEE-LBPRGKRZSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
CID 110098404
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
(2S,3aS,6aS)-1-acetyl-N-methyl-5-(5-methylpyrazine-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124799770
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(6S)-1-acetyl-N-methyl-4-(thiophene-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 124951956
1-(5-methylpyrazine-2-carbonyl)-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 175652203
(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124995488
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745

Frequently Asked Questions

What is the IUPAC name of (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide (CID 124945127) is (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide is CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)c2cnc(C)cn2)C1.
What is the InChIKey of (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is BOSXWZMYXVSEEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-6-18-13(7-17-10)15(23)20-5-4-19(11(2)21)8-12(9-20)14(22)16-3/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,22)/t12-/m0/s1.
What are the key properties of (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
(6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-acetyl-N-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124945127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).