N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C22H22N4O — CID 46589652

IUPACN-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1cccc(Nc2ncccn2)c1)C1CCCc2ccccc21
InChIInChI=1S/C22H22N4O/c1-26(20-12-5-8-16-7-2-3-11-19(16)20)21(27)17-9-4-10-18(15-17)25-22-23-13-6-14-24-22/h2-4,6-7,9-11,13-15,20H,5,8,12H2,1H3,(H,23,24,25)
InChIKeySTYRWIXFCODQAI-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.37
Rot. Bonds4

About N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 46589652) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID46589652
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCN(C(=O)c1cccc(Nc2ncccn2)c1)C1CCCc2ccccc21
InChIInChI=1S/C22H22N4O/c1-26(20-12-5-8-16-7-2-3-11-19(16)20)21(27)17-9-4-10-18(15-17)25-22-23-13-6-14-24-22/h2-4,6-7,9-11,13-15,20H,5,8,12H2,1H3,(H,23,24,25)
InChIKeySTYRWIXFCODQAI-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
CID 72837156
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 46589652) is N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CN(C(=O)c1cccc(Nc2ncccn2)c1)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is STYRWIXFCODQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-26(20-12-5-8-16-7-2-3-11-19(16)20)21(27)17-9-4-10-18(15-17)25-22-23-13-6-14-24-22/h2-4,6-7,9-11,13-15,20H,5,8,12H2,1H3,(H,23,24,25).
What are the key properties of N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 358.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 46589652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).