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

C24H22N4O2S — CID 134307943

IUPAC3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2c(c(Cc3ccc(-c4cscn4)cc3)c1C1=CCOC=C1)CCNC2
InChIInChI=1S/C24H22N4O2S/c25-24(29)23-22(17-6-9-30-10-7-17)19(18-5-8-26-12-20(18)28-23)11-15-1-3-16(4-2-15)21-13-31-14-27-21/h1-4,6-7,9,13-14,26H,5,8,10-12H2,(H2,25,29)
InChIKeyYHXHCOCJLQAWJA-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.47
Rot. Bonds5

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

3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide (PubChem CID 134307943) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
PubChem CID134307943
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2c(c(Cc3ccc(-c4cscn4)cc3)c1C1=CCOC=C1)CCNC2
InChIInChI=1S/C24H22N4O2S/c25-24(29)23-22(17-6-9-30-10-7-17)19(18-5-8-26-12-20(18)28-23)11-15-1-3-16(4-2-15)21-13-31-14-27-21/h1-4,6-7,9,13-14,26H,5,8,10-12H2,(H2,25,29)
InChIKeyYHXHCOCJLQAWJA-UHFFFAOYSA-N
XLogP3.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-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 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) is 3-(2H-pyran-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 3-(2H-pyran-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 3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide is NC(=O)c1nc2c(c(Cc3ccc(-c4cscn4)cc3)c1C1=CCOC=C1)CCNC2.
What is the InChIKey of 3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
The InChIKey is YHXHCOCJLQAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c25-24(29)23-22(17-6-9-30-10-7-17)19(18-5-8-26-12-20(18)28-23)11-15-1-3-16(4-2-15)21-13-31-14-27-21/h1-4,6-7,9,13-14,26H,5,8,10-12H2,(H2,25,29).
What are the key properties of 3-(2H-pyran-4-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide?
3-(2H-pyran-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 430.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-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 134307943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).