N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide

C20H20FN3O2S — CID 142476310

IUPACN-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(Nc2sc3nc(C)ccc3c2C(=O)NOCC2CC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-11-3-8-16(15(21)9-11)23-20-17(18(25)24-26-10-13-5-6-13)14-7-4-12(2)22-19(14)27-20/h3-4,7-9,13,23H,5-6,10H2,1-2H3,(H,24,25)
InChIKeyNTCCTMKROXXVMQ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.87
Rot. Bonds6

About N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide

N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide (PubChem CID 142476310) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
PubChem CID142476310
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(Nc2sc3nc(C)ccc3c2C(=O)NOCC2CC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-11-3-8-16(15(21)9-11)23-20-17(18(25)24-26-10-13-5-6-13)14-7-4-12(2)22-19(14)27-20/h3-4,7-9,13,23H,5-6,10H2,1-2H3,(H,24,25)
InChIKeyNTCCTMKROXXVMQ-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethoxy-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476271
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
5-acetyl-N-[(2S)-2,3-dihydroxypropoxy]-2-(2-fluoro-4-methylanilino)-4-propan-2-ylthiophene-3-carboxamide
CID 167133101
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
CID 44603204
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
6-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-methyl-1,2-benzoxazole-5-carboxamide
CID 58760516
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
tert-butyl 2-(2-fluoro-4-iodoanilino)-6-methoxythieno[2,3-b]pyridine-3-carboxylate
CID 135382834
methyl 5-acetyl-2-(2-fluoro-4-methylanilino)-4-methylthiophene-3-carboxylate
CID 167133053
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-7-(2-fluoro-4-methylanilino)-1,2-benzothiazole-6-carboxamide
CID 90959642
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide (CID 142476310) is N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide is Cc1ccc(Nc2sc3nc(C)ccc3c2C(=O)NOCC2CC2)c(F)c1.
What is the InChIKey of N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is NTCCTMKROXXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-11-3-8-16(15(21)9-11)23-20-17(18(25)24-26-10-13-5-6-13)14-7-4-12(2)22-19(14)27-20/h3-4,7-9,13,23H,5-6,10H2,1-2H3,(H,24,25).
What are the key properties of N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide?
N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-2-(2-fluoro-4-methylanilino)-6-methylthieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 142476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).