N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide

C23H25FN4O4 — CID 72663611

IUPACN-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC2COCC21
InChIInChI=1S/C23H25FN4O4/c1-23(17-11-30-12-20(17)32-22(25)28-23)16-8-14(4-6-18(16)24)27-21(29)19-7-5-15(9-26-19)31-10-13-2-3-13/h4-9,13,17,20H,2-3,10-12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyDVLUMBHNMKHCHV-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.84
Rot. Bonds6

About N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 72663611) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID72663611
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC2COCC21
InChIInChI=1S/C23H25FN4O4/c1-23(17-11-30-12-20(17)32-22(25)28-23)16-8-14(4-6-18(16)24)27-21(29)19-7-5-15(9-26-19)31-10-13-2-3-13/h4-9,13,17,20H,2-3,10-12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyDVLUMBHNMKHCHV-UHFFFAOYSA-N
XLogP2.84
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4R,4aS,7aS)-2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 89451719
N-[3-[2-amino-4-(fluoromethyl)-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 166685719
N-[3-[(2R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118326732
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733
N-[3-[(1S,5S,6S)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-but-2-ynoxy-3-methylpyridine-2-carboxamide
CID 90412647
N-[3-[(1S,5R,6S)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-but-2-ynoxy-3-methylpyridine-2-carboxamide
CID 90412645
N-[3-[(1R,5S)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-but-2-ynoxy-3-methylpyridine-2-carboxamide
CID 163966927
N-[3-[2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 78094673
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123540419
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-4aH-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53250003

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 72663611) is N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is CC1(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)N=C(N)OC2COCC21.
What is the InChIKey of N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is DVLUMBHNMKHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-23(17-11-30-12-20(17)32-22(25)28-23)16-8-14(4-6-18(16)24)27-21(29)19-7-5-15(9-26-19)31-10-13-2-3-13/h4-9,13,17,20H,2-3,10-12H2,1H3,(H2,25,28)(H,27,29).
What are the key properties of N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl)-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 72663611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).