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

C28H34N6O2 — CID 86273401

IUPACN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1CCN2C
InChIInChI=1S/C28H34N6O2/c1-4-19-13-18(2)32-28(36)24(19)17-31-27(35)23-14-21(15-25-22(23)7-10-33(25)3)20-5-6-26(30-16-20)34-11-8-29-9-12-34/h5-6,13-16,29H,4,7-12,17H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyDTKGXNXKYNERDU-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.64
Rot. Bonds6

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

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 86273401) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
PubChem CID86273401
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1CCN2C
InChIInChI=1S/C28H34N6O2/c1-4-19-13-18(2)32-28(36)24(19)17-31-27(35)23-14-21(15-25-22(23)7-10-33(25)3)20-5-6-26(30-16-20)34-11-8-29-9-12-34/h5-6,13-16,29H,4,7-12,17H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyDTKGXNXKYNERDU-UHFFFAOYSA-N
XLogP2.64
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide (CID 86273401) is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1CCN2C.
What is the InChIKey of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is DTKGXNXKYNERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-4-19-13-18(2)32-28(36)24(19)17-31-27(35)23-14-21(15-25-22(23)7-10-33(25)3)20-5-6-26(30-16-20)34-11-8-29-9-12-34/h5-6,13-16,29H,4,7-12,17H2,1-3H3,(H,31,35)(H,32,36).
What are the key properties of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide?
N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 86273401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).