N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide

C19H18N4O3S — CID 177296541

IUPACN-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2c(NC(=O)c3cncnc3)ccnc2SC)cc1OC
InChIInChI=1S/C19H18N4O3S/c1-25-15-5-4-12(8-16(15)26-2)17-14(6-7-22-19(17)27-3)23-18(24)13-9-20-11-21-10-13/h4-11H,1-3H3,(H,22,23,24)
InChIKeyQZOFUPXQZYKEFL-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.53
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide

N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 177296541) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide
PubChem CID177296541
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2c(NC(=O)c3cncnc3)ccnc2SC)cc1OC
InChIInChI=1S/C19H18N4O3S/c1-25-15-5-4-12(8-16(15)26-2)17-14(6-7-22-19(17)27-3)23-18(24)13-9-20-11-21-10-13/h4-11H,1-3H3,(H,22,23,24)
InChIKeyQZOFUPXQZYKEFL-UHFFFAOYSA-N
XLogP3.53
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-cyano-3-(3,4-dimethoxyphenyl)phenyl]pyridine-3-carboxamide
CID 155019311
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
N-[2-amino-3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-pyridinyl]-4-(2-fluoroprop-2-enoylamino)-3-methoxybenzamide
CID 167247512
N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 53149802

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide (CID 177296541) is N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide is COc1ccc(-c2c(NC(=O)c3cncnc3)ccnc2SC)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is QZOFUPXQZYKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-15-5-4-12(8-16(15)26-2)17-14(6-7-22-19(17)27-3)23-18(24)13-9-20-11-21-10-13/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide?
N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 177296541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).