(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide

C21H24N6O3 — CID 177218464

IUPAC(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC1(C)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)N(c2ccnc(C(N)=O)c2)CC12CC2
InChIInChI=1S/C21H24N6O3/c1-20(2)16(19(30)26-12-3-7-24-14(9-12)17(22)28)27(11-21(20)5-6-21)13-4-8-25-15(10-13)18(23)29/h3-4,7-10,16H,5-6,11H2,1-2H3,(H2,22,28)(H2,23,29)(H,24,26,30)/t16-/m1/s1
InChIKeyFDLSCXBHULAQCY-MRXNPFEDSA-N
MW408.46 g/mol
LogP1.31
Rot. Bonds5

About (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 177218464) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID177218464
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC1(C)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)N(c2ccnc(C(N)=O)c2)CC12CC2
InChIInChI=1S/C21H24N6O3/c1-20(2)16(19(30)26-12-3-7-24-14(9-12)17(22)28)27(11-21(20)5-6-21)13-4-8-25-15(10-13)18(23)29/h3-4,7-10,16H,5-6,11H2,1-2H3,(H2,22,28)(H2,23,29)(H,24,26,30)/t16-/m1/s1
InChIKeyFDLSCXBHULAQCY-MRXNPFEDSA-N
XLogP1.31
TPSA144.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide with MolForge

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Related Compounds

4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
CID 166159349
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 156750138
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073
CID 166161608
CID 166161608
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156750142
(3R,6S)-5-(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azatricyclo[2.2.1.01,3]heptane-6-carboxylic acid
CID 177218299
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046918
1-(2-carbamoyl-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595845
4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046977

Frequently Asked Questions

What is the IUPAC name of (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide (CID 177218464) is (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide is CC1(C)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)N(c2ccnc(C(N)=O)c2)CC12CC2.
What is the InChIKey of (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is FDLSCXBHULAQCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-20(2)16(19(30)26-12-3-7-24-14(9-12)17(22)28)27(11-21(20)5-6-21)13-4-8-25-15(10-13)18(23)29/h3-4,7-10,16H,5-6,11H2,1-2H3,(H2,22,28)(H2,23,29)(H,24,26,30)/t16-/m1/s1.
What are the key properties of (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 177218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).