2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide

C20H24N4O2 — CID 126451939

IUPAC2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1COC2(CCCCC2)C1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H24N4O2/c25-18(23-17-11-20(26-14-17)9-5-2-6-10-20)15-12-21-19(22-13-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,12-13,17H,2,5-6,9-11,14H2,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyJODXXAJRGCJODQ-KRWDZBQOSA-N
MW352.44 g/mol
LogP3.44
Rot. Bonds4

About 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide

2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide (PubChem CID 126451939) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
PubChem CID126451939
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1COC2(CCCCC2)C1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H24N4O2/c25-18(23-17-11-20(26-14-17)9-5-2-6-10-20)15-12-21-19(22-13-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,12-13,17H,2,5-6,9-11,14H2,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyJODXXAJRGCJODQ-KRWDZBQOSA-N
XLogP3.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 126442472
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
CID 127600072
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide
CID 56894253
2-anilino-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)benzamide
CID 126829215
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
CID 124851841
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide (CID 126451939) is 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide is O=C(N[C@@H]1COC2(CCCCC2)C1)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is JODXXAJRGCJODQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(23-17-11-20(26-14-17)9-5-2-6-10-20)15-12-21-19(22-13-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,12-13,17H,2,5-6,9-11,14H2,(H,23,25)(H,21,22,24)/t17-/m0/s1.
What are the key properties of 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide?
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126451939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).