N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C19H26N4O4 — CID 1026464

IUPACN-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCC3(CC2)OCCO3)C2CC2)cn1
InChIInChI=1S/C19H26N4O4/c1-14-12-21-16(13-20-14)18(25)23(15-2-3-15)7-4-17(24)22-8-5-19(6-9-22)26-10-11-27-19/h12-13,15H,2-11H2,1H3
InChIKeyZOTBPQZVOANXEK-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.15
Rot. Bonds5

About N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 1026464) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID1026464
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N2CCC3(CC2)OCCO3)C2CC2)cn1
InChIInChI=1S/C19H26N4O4/c1-14-12-21-16(13-20-14)18(25)23(15-2-3-15)7-4-17(24)22-8-5-19(6-9-22)26-10-11-27-19/h12-13,15H,2-11H2,1H3
InChIKeyZOTBPQZVOANXEK-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-cyclopropyl-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783089
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026482
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
CID 42783371
2-[cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562373
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632
N-(4-aminocyclohexyl)-N-ethyl-5-methylpyrazine-2-carboxamide
CID 79115750

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 1026464) is N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCC3(CC2)OCCO3)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZOTBPQZVOANXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-14-12-21-16(13-20-14)18(25)23(15-2-3-15)7-4-17(24)22-8-5-19(6-9-22)26-10-11-27-19/h12-13,15H,2-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1026464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).