N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide

C25H24N4OS — CID 93064774

IUPACN-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cccc(N[C@H](c2cccnc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C25H24N4OS/c1-16-9-7-13-21(27-16)28-23(20-12-8-14-26-15-20)22-17(2)18(3)31-25(22)29-24(30)19-10-5-4-6-11-19/h4-15,23H,1-3H3,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyRKTFNMUIVSLUNM-HSZRJFAPSA-N
MW428.56 g/mol
LogP5.92
Rot. Bonds6

About N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 93064774) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide
PubChem CID93064774
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC NameN-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide
SMILESCc1cccc(N[C@H](c2cccnc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1
InChIInChI=1S/C25H24N4OS/c1-16-9-7-13-21(27-16)28-23(20-12-8-14-26-15-20)22-17(2)18(3)31-25(22)29-24(30)19-10-5-4-6-11-19/h4-15,23H,1-3H3,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyRKTFNMUIVSLUNM-HSZRJFAPSA-N
XLogP5.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethyl-3-[(S)-[(6-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064787
N-[3-[(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 46740560
N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 93064775
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
N-[3-[(S)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 2061123
N-[3-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4671771
N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide
CID 6985096
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(3-methoxyphenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 46740944
N-[4,5-dimethyl-3-[phenyl-(1,3-thiazol-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 4702229
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-thiophen-3-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 93064872
N-[3-[(R)-(4-methoxyanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055689
N-[3-[(R)-(4-fluoroanilino)-phenylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 34055686

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide (CID 93064774) is N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide is Cc1cccc(N[C@H](c2cccnc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1.
What is the InChIKey of N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is RKTFNMUIVSLUNM-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-16-9-7-13-21(27-16)28-23(20-12-8-14-26-15-20)22-17(2)18(3)31-25(22)29-24(30)19-10-5-4-6-11-19/h4-15,23H,1-3H3,(H,27,28)(H,29,30)/t23-/m1/s1.
What are the key properties of N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 93064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).