N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide

C30H29FN4O2 — CID 145206803

IUPACN-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCCc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(-c3cnc(OC)cc3F)ccc1C2
InChIInChI=1S/C30H29FN4O2/c1-4-18-13-28(32)35-17(2)25(18)15-34-30(36)22-8-6-20-9-19-5-7-21(10-23(19)12-24(20)11-22)26-16-33-29(37-3)14-27(26)31/h5-8,10-11,13-14,16H,4,9,12,15H2,1-3H3,(H2,32,35)(H,34,36)
InChIKeyYLXNSMAWIIBIKM-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.17
Rot. Bonds6

About N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide

N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide (PubChem CID 145206803) has the molecular formula C30H29FN4O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
PubChem CID145206803
Molecular FormulaC30H29FN4O2
Molecular Weight496.59 g/mol
Exact Mass496.23
IUPAC NameN-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCCc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(-c3cnc(OC)cc3F)ccc1C2
InChIInChI=1S/C30H29FN4O2/c1-4-18-13-28(32)35-17(2)25(18)15-34-30(36)22-8-6-20-9-19-5-7-21(10-23(19)12-24(20)11-22)26-16-33-29(37-3)14-27(26)31/h5-8,10-11,13-14,16H,4,9,12,15H2,1-3H3,(H2,32,35)(H,34,36)
InChIKeyYLXNSMAWIIBIKM-UHFFFAOYSA-N
XLogP5.17
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide with MolForge

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Related Compounds

4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 68649048
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 53311068
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzamide
CID 53312151
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(3-hydroxypropyl)benzamide
CID 53312232
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-morpholinoethyl)benzamide
CID 53312237
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
1-[[(1R)-1-[4-fluoro-3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]isoquinoline-5-carboxamide
CID 68078668
US10807959, Example 48
CID 146370761

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The IUPAC name of N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide (CID 145206803) is N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide.
What is the SMILES notation for N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The canonical SMILES for N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide is CCc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(-c3cnc(OC)cc3F)ccc1C2.
What is the InChIKey of N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The InChIKey is YLXNSMAWIIBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O2/c1-4-18-13-28(32)35-17(2)25(18)15-34-30(36)22-8-6-20-9-19-5-7-21(10-23(19)12-24(20)11-22)26-16-33-29(37-3)14-27(26)31/h5-8,10-11,13-14,16H,4,9,12,15H2,1-3H3,(H2,32,35)(H,34,36).
What are the key properties of N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide is sourced from PubChem (CID 145206803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).