N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C25H24N4O3S — CID 71081719

IUPACN-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1c(CC(=O)N(CC2CC2)c2nccs2)c2cc(CO)ccc2n1C(=O)c1ccncc1
InChIInChI=1S/C25H24N4O3S/c1-16-20(13-23(31)28(14-17-2-3-17)25-27-10-11-33-25)21-12-18(15-30)4-5-22(21)29(16)24(32)19-6-8-26-9-7-19/h4-12,17,30H,2-3,13-15H2,1H3
InChIKeyXANHLLLIEVISAP-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.97
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71081719) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71081719
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1c(CC(=O)N(CC2CC2)c2nccs2)c2cc(CO)ccc2n1C(=O)c1ccncc1
InChIInChI=1S/C25H24N4O3S/c1-16-20(13-23(31)28(14-17-2-3-17)25-27-10-11-33-25)21-12-18(15-30)4-5-22(21)29(16)24(32)19-6-8-26-9-7-19/h4-12,17,30H,2-3,13-15H2,1H3
InChIKeyXANHLLLIEVISAP-UHFFFAOYSA-N
XLogP3.97
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 71081719) is N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1c(CC(=O)N(CC2CC2)c2nccs2)c2cc(CO)ccc2n1C(=O)c1ccncc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XANHLLLIEVISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-16-20(13-23(31)28(14-17-2-3-17)25-27-10-11-33-25)21-12-18(15-30)4-5-22(21)29(16)24(32)19-6-8-26-9-7-19/h4-12,17,30H,2-3,13-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 460.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71081719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).