(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C15H16FN5O3 — CID 124514792

IUPAC(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)Cn1cnc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1
InChIInChI=1S/C15H16FN5O3/c1-17-13(22)6-21-8-18-15(20-21)19-14(23)10-4-9-5-11(16)2-3-12(9)24-7-10/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,22)(H,19,20,23)/t10-/m1/s1
InChIKeyOOGNPZYKSVPKSP-SNVBAGLBSA-N
MW333.32 g/mol
LogP0.35
Rot. Bonds4

About (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124514792) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID124514792
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)Cn1cnc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1
InChIInChI=1S/C15H16FN5O3/c1-17-13(22)6-21-8-18-15(20-21)19-14(23)10-4-9-5-11(16)2-3-12(9)24-7-10/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,22)(H,19,20,23)/t10-/m1/s1
InChIKeyOOGNPZYKSVPKSP-SNVBAGLBSA-N
XLogP0.35
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-ethoxyphenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
CID 5299379
6-methoxy-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-chromanecarboxamide
CID 70730948
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]chromane-3-carboxamide
CID 72938563
3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 86793775
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94579965
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 121544209
(3S)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124514793
7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136570664
7-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 145910213
(10S)-10-(2-ethoxyphenyl)-7-methyl-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 7343193
(10R)-10-(2-ethoxyphenyl)-7-methyl-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 7343196
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 18132513

Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 124514792) is (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is CNC(=O)Cn1cnc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1.
What is the InChIKey of (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OOGNPZYKSVPKSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-17-13(22)6-21-8-18-15(20-21)19-14(23)10-4-9-5-11(16)2-3-12(9)24-7-10/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,22)(H,19,20,23)/t10-/m1/s1.
What are the key properties of (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124514792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).