4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C15H15N3O2 — CID 177138853

IUPAC4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOCc1c(C(N)=O)ncc2[nH]c3ccc(C)cc3c12
InChIInChI=1S/C15H15N3O2/c1-8-3-4-11-9(5-8)13-10(7-20-2)14(15(16)19)17-6-12(13)18-11/h3-6,18H,7H2,1-2H3,(H2,16,19)
InChIKeyPALFMNMLXZTVGY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds3

About 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 177138853) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID177138853
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOCc1c(C(N)=O)ncc2[nH]c3ccc(C)cc3c12
InChIInChI=1S/C15H15N3O2/c1-8-3-4-11-9(5-8)13-10(7-20-2)14(15(16)19)17-6-12(13)18-11/h3-6,18H,7H2,1-2H3,(H2,16,19)
InChIKeyPALFMNMLXZTVGY-UHFFFAOYSA-N
XLogP2.27
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462944
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
4-(methoxymethyl)-6-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039420
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870
propan-2-yl 4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 4-(methoxymethyl)-6-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 158639288
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 25156743
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
6-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462952
6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138836
2,3-dihydroxypropyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 18963822

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 177138853) is 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is COCc1c(C(N)=O)ncc2[nH]c3ccc(C)cc3c12.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is PALFMNMLXZTVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-8-3-4-11-9(5-8)13-10(7-20-2)14(15(16)19)17-6-12(13)18-11/h3-6,18H,7H2,1-2H3,(H2,16,19).
What are the key properties of 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 177138853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).