methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one

C19H27N5O3 — CID 177139863

IUPACmethyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCNc1cc(-c2cc(N3CCNCC3C)[nH]c(=O)c2)c(C)cn1.COC=O
InChIInChI=1S/C17H23N5O.C2H4O2/c1-11-9-20-15(18-3)8-14(11)13-6-16(21-17(23)7-13)22-5-4-19-10-12(22)2;1-4-2-3/h6-9,12,19H,4-5,10H2,1-3H3,(H,18,20)(H,21,23);2H,1H3
InChIKeyUFXASRSBOLTUIE-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.37
Rot. Bonds4

About methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one

methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one (PubChem CID 177139863) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Namemethyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one
PubChem CID177139863
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Namemethyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCNc1cc(-c2cc(N3CCNCC3C)[nH]c(=O)c2)c(C)cn1.COC=O
InChIInChI=1S/C17H23N5O.C2H4O2/c1-11-9-20-15(18-3)8-14(11)13-6-16(21-17(23)7-13)22-5-4-19-10-12(22)2;1-4-2-3/h6-9,12,19H,4-5,10H2,1-3H3,(H,18,20)(H,21,23);2H,1H3
InChIKeyUFXASRSBOLTUIE-UHFFFAOYSA-N
XLogP1.37
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one?
The IUPAC name of methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one (CID 177139863) is methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one is CNc1cc(-c2cc(N3CCNCC3C)[nH]c(=O)c2)c(C)cn1.COC=O.
What is the InChIKey of methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one?
The InChIKey is UFXASRSBOLTUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.C2H4O2/c1-11-9-20-15(18-3)8-14(11)13-6-16(21-17(23)7-13)22-5-4-19-10-12(22)2;1-4-2-3/h6-9,12,19H,4-5,10H2,1-3H3,(H,18,20)(H,21,23);2H,1H3.
What are the key properties of methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one?
methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one has a molecular weight of 373.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;4-[5-methyl-2-(methylamino)-4-pyridinyl]-6-(2-methylpiperazin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 177139863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).