2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide

C29H27N5O4 — CID 169268142

IUPAC2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1
InChIInChI=1S/C29H27N5O4/c1-37-25-10-5-11-26(38-2)27(25)34-29(36)24-9-4-8-23(33-24)28(35)32-20-13-12-18-6-3-7-21(22(18)14-20)19-15-30-17-31-16-19/h3-11,15-17,20H,12-14H2,1-2H3,(H,32,35)(H,34,36)
InChIKeyWAYCMOKVAMIJPN-UHFFFAOYSA-N
MW509.57 g/mol
LogP4.10
Rot. Bonds7

About 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide

2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 169268142) has the molecular formula C29H27N5O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide
PubChem CID169268142
Molecular FormulaC29H27N5O4
Molecular Weight509.57 g/mol
Exact Mass509.21
IUPAC Name2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1
InChIInChI=1S/C29H27N5O4/c1-37-25-10-5-11-26(38-2)27(25)34-29(36)24-9-4-8-23(33-24)28(35)32-20-13-12-18-6-3-7-21(22(18)14-20)19-15-30-17-31-16-19/h3-11,15-17,20H,12-14H2,1-2H3,(H,32,35)(H,34,36)
InChIKeyWAYCMOKVAMIJPN-UHFFFAOYSA-N
XLogP4.10
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

methyl 6-[(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-2-carboxylate
CID 169268133
6-propan-2-yloxy-N-[(2R)-8-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 66813834
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
CID 169268099
6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
6-N-cyclohexyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095367
2,3,4-trimethoxy-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166821
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
6-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,6-dicarboxamide
CID 109095028

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide (CID 169268142) is 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide is COc1cccc(OC)c1NC(=O)c1cccc(C(=O)NC2CCc3cccc(-c4cncnc4)c3C2)n1.
What is the InChIKey of 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is WAYCMOKVAMIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4/c1-37-25-10-5-11-26(38-2)27(25)34-29(36)24-9-4-8-23(33-24)28(35)32-20-13-12-18-6-3-7-21(22(18)14-20)19-15-30-17-31-16-19/h3-11,15-17,20H,12-14H2,1-2H3,(H,32,35)(H,34,36).
What are the key properties of 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide?
2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 509.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethoxyphenyl)-6-N-(8-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 169268142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).