N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide

C32H40N6O3 — CID 134133285

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyIGEIYKAMTWPMSB-UHFFFAOYSA-N
MW556.71 g/mol
LogP3.50
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 134133285) has the molecular formula C32H40N6O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
PubChem CID134133285
Molecular FormulaC32H40N6O3
Molecular Weight556.71 g/mol
Exact Mass556.32
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyIGEIYKAMTWPMSB-UHFFFAOYSA-N
XLogP3.50
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.71
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

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CID 60147023
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Gsk 343
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(13E)-8-methyl-21-(6-piperazin-1-yl-3-pyridinyl)-18-propan-2-yl-3,7,18-triazatetracyclo[14.6.1.05,10.019,23]tricosa-1(23),5(10),8,13,16,19,21-heptaene-2,6-dione
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4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
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7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (CID 134133285) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is IGEIYKAMTWPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-(oxan-4-yl)-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134133285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).