N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one

C21H25N7O2 — CID 143191112

IUPACN-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one
SMILESCCNC=O.CCn1ccc(-c2cc(-n3cccn3)c3nc(NC)[nH]c3c2)cc1=O
InChIInChI=1S/C18H18N6O.C3H7NO/c1-3-23-8-5-12(11-16(23)25)13-9-14-17(22-18(19-2)21-14)15(10-13)24-7-4-6-20-24;1-2-4-3-5/h4-11H,3H2,1-2H3,(H2,19,21,22);3H,2H2,1H3,(H,4,5)
InChIKeyUWNBTXWFXBPVNV-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.39
Rot. Bonds6

About N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one

N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one (PubChem CID 143191112) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one.

Molecular Properties

Compound NameN-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one
PubChem CID143191112
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one
SMILESCCNC=O.CCn1ccc(-c2cc(-n3cccn3)c3nc(NC)[nH]c3c2)cc1=O
InChIInChI=1S/C18H18N6O.C3H7NO/c1-3-23-8-5-12(11-16(23)25)13-9-14-17(22-18(19-2)21-14)15(10-13)24-7-4-6-20-24;1-2-4-3-5/h4-11H,3H2,1-2H3,(H2,19,21,22);3H,2H2,1H3,(H,4,5)
InChIKeyUWNBTXWFXBPVNV-UHFFFAOYSA-N
XLogP2.39
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.39
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 N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one?
The IUPAC name of N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one (CID 143191112) is N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one.
What is the SMILES notation for N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one?
The canonical SMILES for N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one is CCNC=O.CCn1ccc(-c2cc(-n3cccn3)c3nc(NC)[nH]c3c2)cc1=O.
What is the InChIKey of N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one?
The InChIKey is UWNBTXWFXBPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.C3H7NO/c1-3-23-8-5-12(11-16(23)25)13-9-14-17(22-18(19-2)21-14)15(10-13)24-7-4-6-20-24;1-2-4-3-5/h4-11H,3H2,1-2H3,(H2,19,21,22);3H,2H2,1H3,(H,4,5).
What are the key properties of N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one?
N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one has a molecular weight of 407.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylformamide;1-ethyl-4-[2-(methylamino)-7-pyrazol-1-yl-3H-benzimidazol-5-yl]pyridin-2-one is sourced from PubChem (CID 143191112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).