N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C19H22N4O2 — CID 126442472

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C19H22N4O2/c24-18(23-16-10-19(25-13-16)6-2-1-3-7-19)15-11-21-17(22-12-15)14-4-8-20-9-5-14/h4-5,8-9,11-12,16H,1-3,6-7,10,13H2,(H,23,24)/t16-/m1/s1
InChIKeyBKWCJNLMSLBXQE-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.76
Rot. Bonds3

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 126442472) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID126442472
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCCCC2)C1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C19H22N4O2/c24-18(23-16-10-19(25-13-16)6-2-1-3-7-19)15-11-21-17(22-12-15)14-4-8-20-9-5-14/h4-5,8-9,11-12,16H,1-3,6-7,10,13H2,(H,23,24)/t16-/m1/s1
InChIKeyBKWCJNLMSLBXQE-MRXNPFEDSA-N
XLogP2.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
5-chloro-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 126423666
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
CID 124851841
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyrazine-2-carboxamide
CID 77080599
1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72934930
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70752204
2-methyl-N-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-1-benzofuran-5-carboxamide
CID 97145621
N-cyclohexylpyridine-4-carboxamide
CID 3436730

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 126442472) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is O=C(N[C@H]1COC2(CCCCC2)C1)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is BKWCJNLMSLBXQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(23-16-10-19(25-13-16)6-2-1-3-7-19)15-11-21-17(22-12-15)14-4-8-20-9-5-14/h4-5,8-9,11-12,16H,1-3,6-7,10,13H2,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 126442472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).