N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide

C26H31N7O — CID 166061368

IUPACN-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4ncccc4C)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C26H31N7O/c1-18-6-4-12-29-23(18)30-21-14-22(32-24(31-21)20-8-5-11-28-16-20)33-13-10-26(17-33)9-3-7-19(15-26)25(34)27-2/h4-6,8,11-12,14,16,19H,3,7,9-10,13,15,17H2,1-2H3,(H,27,34)(H,29,30,31,32)
InChIKeySFRCAYNIDWUWKI-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.12
Rot. Bonds5

About N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide

N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide (PubChem CID 166061368) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
PubChem CID166061368
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC NameN-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4ncccc4C)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C26H31N7O/c1-18-6-4-12-29-23(18)30-21-14-22(32-24(31-21)20-8-5-11-28-16-20)33-13-10-26(17-33)9-3-7-19(15-26)25(34)27-2/h4-6,8,11-12,14,16,19H,3,7,9-10,13,15,17H2,1-2H3,(H,27,34)(H,29,30,31,32)
InChIKeySFRCAYNIDWUWKI-UHFFFAOYSA-N
XLogP4.12
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
CID 166061302
2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
CID 166061341
N-methyl-2-[6-[(4-methylsulfanyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
CID 166061264
2-[2-(3-aminophenyl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
CID 166061277
6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 166713273
1-[8-[2-pyridin-3-yl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 166713230
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-pyridin-3-yl-6-(8-thia-2-azaspiro[4.5]decan-2-yl)-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 166713436
ethyl 2-[2-chloro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxylate
CID 166061369
N-[2-[4-[6-(2-chloroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]phenyl]acetamide
CID 172970837
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide (CID 166061368) is N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide is CNC(=O)C1CCCC2(CCN(c3cc(Nc4ncccc4C)nc(-c4cccnc4)n3)C2)C1.
What is the InChIKey of N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is SFRCAYNIDWUWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-18-6-4-12-29-23(18)30-21-14-22(32-24(31-21)20-8-5-11-28-16-20)33-13-10-26(17-33)9-3-7-19(15-26)25(34)27-2/h4-6,8,11-12,14,16,19H,3,7,9-10,13,15,17H2,1-2H3,(H,27,34)(H,29,30,31,32).
What are the key properties of N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide?
N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 166061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).