2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide

C18H20N6OS — CID 132771049

IUPAC2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESN#CCN1CCCC1c1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1
InChIInChI=1S/C18H20N6OS/c19-8-10-24-9-2-4-15(24)13-3-1-5-16(21-13)23-18-22-14(11-26-18)17(25)20-12-6-7-12/h1,3,5,11-12,15H,2,4,6-7,9-10H2,(H,20,25)(H,21,22,23)
InChIKeyMQMCMUZQNBTTEC-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.83
Rot. Bonds6

About 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide

2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 132771049) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID132771049
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESN#CCN1CCCC1c1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1
InChIInChI=1S/C18H20N6OS/c19-8-10-24-9-2-4-15(24)13-3-1-5-16(21-13)23-18-22-14(11-26-18)17(25)20-12-6-7-12/h1,3,5,11-12,15H,2,4,6-7,9-10H2,(H,20,25)(H,21,22,23)
InChIKeyMQMCMUZQNBTTEC-UHFFFAOYSA-N
XLogP2.83
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-[(4-phenyloxan-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 132773926
2-[[4-[1-(cyanomethyl)pyrrolidin-2-yl]pyrimidin-2-yl]amino]-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
CID 132766428
2-[3-[6-[[4-(4-hydroxypiperidine-1-carbonyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]piperidin-1-yl]acetonitrile
CID 132772243
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
2-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 110268824
2-[[6-[1-(cyanomethyl)piperidin-3-yl]-2-pyridinyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 132774196
N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 52907438
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
2-[[4-[1-(cyanomethyl)piperidin-3-yl]pyrimidin-2-yl]amino]-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 132771700

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide (CID 132771049) is 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide is N#CCN1CCCC1c1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1.
What is the InChIKey of 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is MQMCMUZQNBTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-8-10-24-9-2-4-15(24)13-3-1-5-16(21-13)23-18-22-14(11-26-18)17(25)20-12-6-7-12/h1,3,5,11-12,15H,2,4,6-7,9-10H2,(H,20,25)(H,21,22,23).
What are the key properties of 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide?
2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-(cyanomethyl)pyrrolidin-2-yl]-2-pyridinyl]amino]-N-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 132771049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).