2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide

C19H31N5O3 — CID 31161014

IUPAC2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
SMILESCn1ncc(N2CCO[C@H](CCNC(=O)CN3CCCCCC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-22-19(26)12-16(13-21-22)24-10-11-27-17(14-24)6-7-20-18(25)15-23-8-4-2-3-5-9-23/h12-13,17H,2-11,14-15H2,1H3,(H,20,25)/t17-/m1/s1
InChIKeyWMANEPFZCRTADW-QGZVFWFLSA-N
MW377.49 g/mol
LogP0.37
Rot. Bonds6

About 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide

2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide (PubChem CID 31161014) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
PubChem CID31161014
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
SMILESCn1ncc(N2CCO[C@H](CCNC(=O)CN3CCCCCC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-22-19(26)12-16(13-21-22)24-10-11-27-17(14-24)6-7-20-18(25)15-23-8-4-2-3-5-9-23/h12-13,17H,2-11,14-15H2,1H3,(H,20,25)/t17-/m1/s1
InChIKeyWMANEPFZCRTADW-QGZVFWFLSA-N
XLogP0.37
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide (CID 31161014) is 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide is Cn1ncc(N2CCO[C@H](CCNC(=O)CN3CCCCCC3)C2)cc1=O.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide?
The InChIKey is WMANEPFZCRTADW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-22-19(26)12-16(13-21-22)24-10-11-27-17(14-24)6-7-20-18(25)15-23-8-4-2-3-5-9-23/h12-13,17H,2-11,14-15H2,1H3,(H,20,25)/t17-/m1/s1.
What are the key properties of 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide?
2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide is sourced from PubChem (CID 31161014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).