2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide

C17H17N7OS — CID 91952494

IUPAC2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nncs1)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C17H17N7OS/c25-15(22-17-23-20-11-26-17)13-10-19-16(24-8-2-1-3-9-24)21-14(13)12-4-6-18-7-5-12/h4-7,10-11H,1-3,8-9H2,(H,22,23,25)
InChIKeyBFIKRUMYJUKUSS-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.63
Rot. Bonds4

About 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide

2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 91952494) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID91952494
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nncs1)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C17H17N7OS/c25-15(22-17-23-20-11-26-17)13-10-19-16(24-8-2-1-3-9-24)21-14(13)12-4-6-18-7-5-12/h4-7,10-11H,1-3,8-9H2,(H,22,23,25)
InChIKeyBFIKRUMYJUKUSS-UHFFFAOYSA-N
XLogP2.63
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952513
N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952524
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952583
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952505
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952530
N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952580
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 22644630
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952538
4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide (CID 91952494) is 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide is O=C(Nc1nncs1)c1cnc(N2CCCCC2)nc1-c1ccncc1.
What is the InChIKey of 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is BFIKRUMYJUKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c25-15(22-17-23-20-11-26-17)13-10-19-16(24-8-2-1-3-9-24)21-14(13)12-4-6-18-7-5-12/h4-7,10-11H,1-3,8-9H2,(H,22,23,25).
What are the key properties of 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide?
2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91952494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).