N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide

C20H20Cl2N4O2 — CID 11546231

IUPACN-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCN(C)C3
InChIInChI=1S/C20H20Cl2N4O2/c1-25-7-6-15-12(10-25)17-11(4-5-16(28-3)19(17)26(15)2)20(27)24-18-13(21)8-23-9-14(18)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,24,27)
InChIKeyYLJYNOIQVPAIFQ-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.13
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide

N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide (PubChem CID 11546231) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
PubChem CID11546231
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCN(C)C3
InChIInChI=1S/C20H20Cl2N4O2/c1-25-7-6-15-12(10-25)17-11(4-5-16(28-3)19(17)26(15)2)20(27)24-18-13(21)8-23-9-14(18)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,24,27)
InChIKeyYLJYNOIQVPAIFQ-UHFFFAOYSA-N
XLogP4.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide (CID 11546231) is N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCN(C)C3.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide?
The InChIKey is YLJYNOIQVPAIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-25-7-6-15-12(10-25)17-11(4-5-16(28-3)19(17)26(15)2)20(27)24-18-13(21)8-23-9-14(18)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,23,24,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide is sourced from PubChem (CID 11546231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).