N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide

C23H21N3O2S — CID 46740510

IUPACN-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cccc(NC(c2ccccc2)c2cc(C)sc2NC(=O)c2ccco2)n1
InChIInChI=1S/C23H21N3O2S/c1-15-8-6-12-20(24-15)25-21(17-9-4-3-5-10-17)18-14-16(2)29-23(18)26-22(27)19-11-7-13-28-19/h3-14,21H,1-2H3,(H,24,25)(H,26,27)
InChIKeyDPDUQOHFGPJKTR-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.81
Rot. Bonds6

About N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 46740510) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID46740510
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cccc(NC(c2ccccc2)c2cc(C)sc2NC(=O)c2ccco2)n1
InChIInChI=1S/C23H21N3O2S/c1-15-8-6-12-20(24-15)25-21(17-9-4-3-5-10-17)18-14-16(2)29-23(18)26-22(27)19-11-7-13-28-19/h3-14,21H,1-2H3,(H,24,25)(H,26,27)
InChIKeyDPDUQOHFGPJKTR-UHFFFAOYSA-N
XLogP5.81
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(R)-(4-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479836
N-[3-[(R)-(2-methoxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479812
N-[5-ethyl-3-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480205
N-[3-[(R)-(3-bromophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93480237
N-[5-ethyl-3-[(3-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740828
N-[3-[(3-bromophenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 53045220
N-[5-methyl-3-[(S)-(4-methylsulfanylphenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479874
N-[5-ethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-[4-(trifluoromethyl)phenyl]methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480199
N-[3-[(3-chlorophenyl)-[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740886
N-[5-ethyl-3-[(2-fluorophenyl)-[(6-methyl-2-pyridinyl)amino]methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740831
N-[3-[(R)-(3-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479822
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-(2-methoxyphenyl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93480288

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 46740510) is N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1cccc(NC(c2ccccc2)c2cc(C)sc2NC(=O)c2ccco2)n1.
What is the InChIKey of N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is DPDUQOHFGPJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-8-6-12-20(24-15)25-21(17-9-4-3-5-10-17)18-14-16(2)29-23(18)26-22(27)19-11-7-13-28-19/h3-14,21H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[[(6-methyl-2-pyridinyl)amino]-phenylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).