N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C23H21N5O2S — CID 59374323

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H21N5O2S/c1-16-20(31-15-27-16)11-14-25-22(29)19-5-4-13-26-23(19)30-18-9-7-17(8-10-18)28-21-6-2-3-12-24-21/h2-10,12-13,15H,11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyDMEPETXRKDZCGE-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.75
Rot. Bonds8

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374323) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374323
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H21N5O2S/c1-16-20(31-15-27-16)11-14-25-22(29)19-5-4-13-26-23(19)30-18-9-7-17(8-10-18)28-21-6-2-3-12-24-21/h2-10,12-13,15H,11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyDMEPETXRKDZCGE-UHFFFAOYSA-N
XLogP4.75
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374323) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is Cc1ncsc1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is DMEPETXRKDZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-16-20(31-15-27-16)11-14-25-22(29)19-5-4-13-26-23(19)30-18-9-7-17(8-10-18)28-21-6-2-3-12-24-21/h2-10,12-13,15H,11,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).