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

C29H27FN4O2 — CID 145206972

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCOc1cc(F)c(-c2ccc3c(c2)Cc2cc(C(=O)NCc4c(C)cc(N)nc4C)ccc2C3)cn1
InChIInChI=1S/C29H27FN4O2/c1-16-8-27(31)34-17(2)24(16)14-33-29(35)21-7-5-19-9-18-4-6-20(10-22(18)12-23(19)11-21)25-15-32-28(36-3)13-26(25)30/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H2,31,34)(H,33,35)
InChIKeyAGUDBLJWZPGPTD-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.92
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide (PubChem CID 145206972) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
PubChem CID145206972
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCOc1cc(F)c(-c2ccc3c(c2)Cc2cc(C(=O)NCc4c(C)cc(N)nc4C)ccc2C3)cn1
InChIInChI=1S/C29H27FN4O2/c1-16-8-27(31)34-17(2)24(16)14-33-29(35)21-7-5-19-9-18-4-6-20(10-22(18)12-23(19)11-21)25-15-32-28(36-3)13-26(25)30/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H2,31,34)(H,33,35)
InChIKeyAGUDBLJWZPGPTD-UHFFFAOYSA-N
XLogP4.92
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-2,4-dimethyl-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-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide (CID 145206972) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide is COc1cc(F)c(-c2ccc3c(c2)Cc2cc(C(=O)NCc4c(C)cc(N)nc4C)ccc2C3)cn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
The InChIKey is AGUDBLJWZPGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c1-16-8-27(31)34-17(2)24(16)14-33-29(35)21-7-5-19-9-18-4-6-20(10-22(18)12-23(19)11-21)25-15-32-28(36-3)13-26(25)30/h4-8,10-11,13,15H,9,12,14H2,1-3H3,(H2,31,34)(H,33,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide is sourced from PubChem (CID 145206972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).