N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

C19H25N3O2S — CID 124743410

IUPACN-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc2c(cn1)OCCC2
InChIInChI=1S/C19H25N3O2S/c1-11(2)18-21-12(3)17(25-18)13(4)22(5)19(23)15-9-14-7-6-8-24-16(14)10-20-15/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyYTZWXJYTNNXBQK-CYBMUJFWSA-N
MW359.50 g/mol
LogP4.13
Rot. Bonds4

About N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (PubChem CID 124743410) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
PubChem CID124743410
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc2c(cn1)OCCC2
InChIInChI=1S/C19H25N3O2S/c1-11(2)18-21-12(3)17(25-18)13(4)22(5)19(23)15-9-14-7-6-8-24-16(14)10-20-15/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyYTZWXJYTNNXBQK-CYBMUJFWSA-N
XLogP4.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (CID 124743410) is N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc2c(cn1)OCCC2.
What is the InChIKey of N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The InChIKey is YTZWXJYTNNXBQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11(2)18-21-12(3)17(25-18)13(4)22(5)19(23)15-9-14-7-6-8-24-16(14)10-20-15/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 124743410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).