N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H31N5O3 — CID 97281806

IUPACN-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-3-22(14-17-6-4-11-27-17)19(26)15-24-18(25)12-16(13-20-24)23-8-5-7-21(2)9-10-23/h12-13,17H,3-11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyPZFGOKBRTXGMFV-KRWDZBQOSA-N
MW377.49 g/mol
LogP0.41
Rot. Bonds6

About N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97281806) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97281806
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-3-22(14-17-6-4-11-27-17)19(26)15-24-18(25)12-16(13-20-24)23-8-5-7-21(2)9-10-23/h12-13,17H,3-11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyPZFGOKBRTXGMFV-KRWDZBQOSA-N
XLogP0.41
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97281806) is N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCN(C[C@@H]1CCCO1)C(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O.
What is the InChIKey of N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is PZFGOKBRTXGMFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-3-22(14-17-6-4-11-27-17)19(26)15-24-18(25)12-16(13-20-24)23-8-5-7-21(2)9-10-23/h12-13,17H,3-11,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97281806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).