[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid

C16H16F2N4O4 — CID 70922592

IUPAC[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCOc1ccc(N)c(N(C(=O)C(C)NC(=O)O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H16F2N4O4/c1-8(20-16(24)25)15(23)22(11-6-9(17)5-10(18)7-11)14-12(19)3-4-13(21-14)26-2/h3-8,20H,19H2,1-2H3,(H,24,25)
InChIKeyUYALBNBPIJTBMQ-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.27
Rot. Bonds5

About [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid

[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 70922592) has the molecular formula C16H16F2N4O4 and a molecular weight of 366.32 g/mol. Its IUPAC name is [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid
PubChem CID70922592
Molecular FormulaC16H16F2N4O4
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCOc1ccc(N)c(N(C(=O)C(C)NC(=O)O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H16F2N4O4/c1-8(20-16(24)25)15(23)22(11-6-9(17)5-10(18)7-11)14-12(19)3-4-13(21-14)26-2/h3-8,20H,19H2,1-2H3,(H,24,25)
InChIKeyUYALBNBPIJTBMQ-UHFFFAOYSA-N
XLogP2.27
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[Butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 11181032
ethyl N-[5-amino-3-[(4-methoxy-N-methylanilino)methyl]-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate;hydrate
CID 71456165
1-Piperazinepropanamide, N-(2-aminophenyl)-4-(6-methoxy-2-pyridinyl)-, dihydrochloride
CID 11971552
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
N-(Isopropylcarbamoyl-methyl)-N-(4-methoxy-phenyl)-N'-pyridin-2-yl-succinamide
CID 3204973
5-[1-[(2Z)-cyclooct-2-en-1-yl]piperidin-4-yl]-7-methoxy-1H-pyrido[2,3-b][1,4]diazepine-2,4-dione
CID 59159326
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-4-methylpentanamide
CID 53565101
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
CID 75420641
ethyl N-[2-acetamido-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]carbamate
CID 178295521
1-[1-[(2Z)-cyclooct-2-en-1-yl]piperidin-4-yl]-7-methoxy-5H-pyrido[2,3-b][1,4]diazepine-2,4-dione
CID 59159346
N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
CID 13118150

Frequently Asked Questions

What is the IUPAC name of [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid (CID 70922592) is [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid is COc1ccc(N)c(N(C(=O)C(C)NC(=O)O)c2cc(F)cc(F)c2)n1.
What is the InChIKey of [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is UYALBNBPIJTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4/c1-8(20-16(24)25)15(23)22(11-6-9(17)5-10(18)7-11)14-12(19)3-4-13(21-14)26-2/h3-8,20H,19H2,1-2H3,(H,24,25).
What are the key properties of [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid?
[1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 366.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-(3-amino-6-methoxy-2-pyridinyl)-3,5-difluoroanilino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70922592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).