N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide

C50H53N7O — CID 70367380

IUPACN-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide
SMILESCCC(=O)N(c1ccncc1)n1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1n2N(CCCCN1CCC2(CCCC2)CC1)c1ccncc1
InChIInChI=1S/C30H36N4.C20H17N3O/c1-3-11-28-26(9-1)27-10-2-4-12-29(27)34(28)33(25-13-19-31-20-14-25)22-8-7-21-32-23-17-30(18-24-32)15-5-6-16-30;1-2-20(24)22(15-11-13-21-14-12-15)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h1-4,9-14,19-20H,5-8,15-18,21-24H2;3-14H,2H2,1H3
InChIKeyHGNBHDSTYWRNLW-UHFFFAOYSA-N
MW768.02 g/mol
LogP11.29
Rot. Bonds10

About N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide

N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide (PubChem CID 70367380) has the molecular formula C50H53N7O and a molecular weight of 768.02 g/mol. Its IUPAC name is N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide
PubChem CID70367380
Molecular FormulaC50H53N7O
Molecular Weight768.02 g/mol
Exact Mass767.43
IUPAC NameN-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide
SMILESCCC(=O)N(c1ccncc1)n1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1n2N(CCCCN1CCC2(CCCC2)CC1)c1ccncc1
InChIInChI=1S/C30H36N4.C20H17N3O/c1-3-11-28-26(9-1)27-10-2-4-12-29(27)34(28)33(25-13-19-31-20-14-25)22-8-7-21-32-23-17-30(18-24-32)15-5-6-16-30;1-2-20(24)22(15-11-13-21-14-12-15)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h1-4,9-14,19-20H,5-8,15-18,21-24H2;3-14H,2H2,1H3
InChIKeyHGNBHDSTYWRNLW-UHFFFAOYSA-N
XLogP11.29
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US11247989, Example 2
CID 132184266
US11247989, Example 58
CID 132186424
3-(Indazol-1-YL)-1-[3-(pyridin-3-ylmethyl)piperidin-1-YL]propan-1-one
CID 118740376
3-Indazol-1-yl-1-[4-(4-phenyl-3-pyridinyl)piperazin-1-yl]propan-1-one
CID 118450467
(4S)-4-[4,4-bis(1-methylindol-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97034536
2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 164641387
2-[3-[2-(1,1-Difluoroethyl)pyridin-4-yl]-1-tritylindazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylic acid
CID 122588705
(5S)-2-[3-[2-(1,1-difluoroethyl)pyridin-4-yl]-1-tritylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 122588773
2-[3-[2-(1,1-Difluoroethyl)-4-pyridinyl]-1-tritylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 122588776
(5S)-2-[3-(3-fluoro-4-pyridinyl)-1-tritylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 135237034
2-[3-(3-Fluoro-4-pyridinyl)-1-tritylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 135237036
5-Cyclohexyl-8-[2-[2-(5-cyclohexyl-10-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-8-yl)-4-fluorophenyl]-5-fluorophenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 144143315

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The IUPAC name of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide (CID 70367380) is N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The canonical SMILES for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide is CCC(=O)N(c1ccncc1)n1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1n2N(CCCCN1CCC2(CCCC2)CC1)c1ccncc1.
What is the InChIKey of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
The InChIKey is HGNBHDSTYWRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4.C20H17N3O/c1-3-11-28-26(9-1)27-10-2-4-12-29(27)34(28)33(25-13-19-31-20-14-25)22-8-7-21-32-23-17-30(18-24-32)15-5-6-16-30;1-2-20(24)22(15-11-13-21-14-12-15)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h1-4,9-14,19-20H,5-8,15-18,21-24H2;3-14H,2H2,1H3.
What are the key properties of N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide?
N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide has a molecular weight of 768.02 g/mol, XLogP of 11.29, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-azaspiro[4.5]decan-8-yl)butyl]-N-pyridin-4-ylcarbazol-9-amine;N-carbazol-9-yl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 70367380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).