N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide

C28H36N6O2 — CID 67616745

IUPACN,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide
SMILESCC(N1CCC(Nc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1)N1CC2(COC2)C1
InChIInChI=1S/C28H36N6O2/c1-20(33-16-28(17-33)18-36-19-28)32-11-9-23(10-12-32)30-24-5-7-26(29-15-24)34-13-8-21-14-22(4-6-25(21)34)27(35)31(2)3/h4-8,13-15,20,23,30H,9-12,16-19H2,1-3H3
InChIKeyUUPZIODQJKZPRQ-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.28
Rot. Bonds6

About N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide

N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide (PubChem CID 67616745) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide
PubChem CID67616745
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC NameN,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide
SMILESCC(N1CCC(Nc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1)N1CC2(COC2)C1
InChIInChI=1S/C28H36N6O2/c1-20(33-16-28(17-33)18-36-19-28)32-11-9-23(10-12-32)30-24-5-7-26(29-15-24)34-13-8-21-14-22(4-6-25(21)34)27(35)31(2)3/h4-8,13-15,20,23,30H,9-12,16-19H2,1-3H3
InChIKeyUUPZIODQJKZPRQ-UHFFFAOYSA-N
XLogP3.28
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67608158
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
6-imidazol-1-yl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43710570
2-N,2-N-dimethyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2,5-diamine
CID 43690467
6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
CID 86787630
propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate
CID 67807509
[1-[5-(dimethylcarbamoyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71523242
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
CID 133479815

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide (CID 67616745) is N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide is CC(N1CCC(Nc2ccc(-n3ccc4cc(C(=O)N(C)C)ccc43)nc2)CC1)N1CC2(COC2)C1.
What is the InChIKey of N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide?
The InChIKey is UUPZIODQJKZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-20(33-16-28(17-33)18-36-19-28)32-11-9-23(10-12-32)30-24-5-7-26(29-15-24)34-13-8-21-14-22(4-6-25(21)34)27(35)31(2)3/h4-8,13-15,20,23,30H,9-12,16-19H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide?
N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[[1-[1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]indole-5-carboxamide is sourced from PubChem (CID 67616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).