N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide

C24H26N4O3S — CID 134309149

IUPACN-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1O)c1cc(Cc2ccc(-c3cscn3)cc2)c2c(n1)CNCC2
InChIInChI=1S/C24H26N4O3S/c29-23-12-31-8-6-19(23)28-24(30)20-10-17(18-5-7-25-11-21(18)27-20)9-15-1-3-16(4-2-15)22-13-32-14-26-22/h1-4,10,13-14,19,23,25,29H,5-9,11-12H2,(H,28,30)/t19-,23+/m0/s1
InChIKeyNEXIUBBVPBZESN-WMZHIEFXSA-N
MW450.56 g/mol
LogP2.32
Rot. Bonds5

About N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide

N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide (PubChem CID 134309149) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
PubChem CID134309149
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1O)c1cc(Cc2ccc(-c3cscn3)cc2)c2c(n1)CNCC2
InChIInChI=1S/C24H26N4O3S/c29-23-12-31-8-6-19(23)28-24(30)20-10-17(18-5-7-25-11-21(18)27-20)9-15-1-3-16(4-2-15)22-13-32-14-26-22/h1-4,10,13-14,19,23,25,29H,5-9,11-12H2,(H,28,30)/t19-,23+/m0/s1
InChIKeyNEXIUBBVPBZESN-WMZHIEFXSA-N
XLogP2.32
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54768007
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54767685
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(imidazo[1,2-a]pyridin-7-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54767683
1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 151334705
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134312498
4-bromo-N-(3-hydroxyoxan-4-yl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 123669223
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
7-[[3-fluoro-4-[2-(4-hydroxyphenyl)acetyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 160882252
1-methyl-N-(oxan-4-ylmethyl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 151036316
7-[(3-fluoro-4-propanoylphenyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 159519035
3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
CID 134307943

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide (CID 134309149) is N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide is O=C(N[C@H]1CCOC[C@H]1O)c1cc(Cc2ccc(-c3cscn3)cc2)c2c(n1)CNCC2.
What is the InChIKey of N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
The InChIKey is NEXIUBBVPBZESN-WMZHIEFXSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-23-12-31-8-6-19(23)28-24(30)20-10-17(18-5-7-25-11-21(18)27-20)9-15-1-3-16(4-2-15)22-13-32-14-26-22/h1-4,10,13-14,19,23,25,29H,5-9,11-12H2,(H,28,30)/t19-,23+/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 134309149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).