N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide

C25H23N3O2S — CID 93064721

IUPACN-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide
SMILESCOc1ccccc1[C@@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-17-16-20(25(31-17)28-24(29)18-10-4-3-5-11-18)23(27-22-14-8-9-15-26-22)19-12-6-7-13-21(19)30-2/h3-16,23H,1-2H3,(H,26,27)(H,28,29)/t23-/m1/s1
InChIKeyHKDOHEQNAKTTPW-HSZRJFAPSA-N
MW429.55 g/mol
LogP5.91
Rot. Bonds7

About N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide

N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide (PubChem CID 93064721) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide
PubChem CID93064721
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide
SMILESCOc1ccccc1[C@@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-17-16-20(25(31-17)28-24(29)18-10-4-3-5-11-18)23(27-22-14-8-9-15-26-22)19-12-6-7-13-21(19)30-2/h3-16,23H,1-2H3,(H,26,27)(H,28,29)/t23-/m1/s1
InChIKeyHKDOHEQNAKTTPW-HSZRJFAPSA-N
XLogP5.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(R)-(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]benzamide
CID 93479915
N-[5-methyl-3-[(R)-(pyridin-2-ylamino)-thiophen-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064735
N-[3-[(S)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 93479987
N-[3-[(2,4-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 46740739
N-[3-[(S)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]benzamide
CID 93064717
N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479812
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide
CID 93064821
N-[3-[(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 46740560
N-[3-[(S)-(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 2061123
N-[3-[(2,3-dimethoxyphenyl)-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740869
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]benzamide
CID 46740904
N-[4,5-dimethyl-3-[(R)-pyridin-4-yl-(pyridin-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 93064775

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide (CID 93064721) is N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide is COc1ccccc1[C@@H](Nc1ccccn1)c1cc(C)sc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide?
The InChIKey is HKDOHEQNAKTTPW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-16-20(25(31-17)28-24(29)18-10-4-3-5-11-18)23(27-22-14-8-9-15-26-22)19-12-6-7-13-21(19)30-2/h3-16,23H,1-2H3,(H,26,27)(H,28,29)/t23-/m1/s1.
What are the key properties of N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide?
N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide has a molecular weight of 429.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide is sourced from PubChem (CID 93064721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).