N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

C18H19ClN4O3 — CID 109352525

IUPACN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C18H19ClN4O3/c19-13-2-1-3-14(10-13)22-17(24)15-11-16(21-12-20-15)23-6-4-18(5-7-23)25-8-9-26-18/h1-3,10-12H,4-9H2,(H,22,24)
InChIKeyBVMURNALUMBVKT-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.73
Rot. Bonds3

About N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (PubChem CID 109352525) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
PubChem CID109352525
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C18H19ClN4O3/c19-13-2-1-3-14(10-13)22-17(24)15-11-16(21-12-20-15)23-6-4-18(5-7-23)25-8-9-26-18/h1-3,10-12H,4-9H2,(H,22,24)
InChIKeyBVMURNALUMBVKT-UHFFFAOYSA-N
XLogP2.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352530
N-(2,6-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352559
N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352549
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352528
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
N-(3-chloro-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123541

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (CID 109352525) is N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The InChIKey is BVMURNALUMBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14(10-13)22-17(24)15-11-16(21-12-20-15)23-6-4-18(5-7-23)25-8-9-26-18/h1-3,10-12H,4-9H2,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).