N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C20H22N6OS — CID 91952583

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2cnc(N3CCCC3)nc2-c2cccnc2)cs1
InChIInChI=1S/C20H22N6OS/c1-2-17-24-15(13-28-17)11-22-19(27)16-12-23-20(26-8-3-4-9-26)25-18(16)14-6-5-7-21-10-14/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,22,27)
InChIKeyOKTFTCZTFCMIBT-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 91952583) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID91952583
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2cnc(N3CCCC3)nc2-c2cccnc2)cs1
InChIInChI=1S/C20H22N6OS/c1-2-17-24-15(13-28-17)11-22-19(27)16-12-23-20(26-8-3-4-9-26)25-18(16)14-6-5-7-21-10-14/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,22,27)
InChIKeyOKTFTCZTFCMIBT-UHFFFAOYSA-N
XLogP3.09
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
CID 91952635
N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952580
2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
CID 91952494
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 51495772
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 91952583) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCc1nc(CNC(=O)c2cnc(N3CCCC3)nc2-c2cccnc2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is OKTFTCZTFCMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-2-17-24-15(13-28-17)11-22-19(27)16-12-23-20(26-8-3-4-9-26)25-18(16)14-6-5-7-21-10-14/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,22,27).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).