N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide

C18H20F2N4OS — CID 118450755

IUPACN-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnc(-c2ccncc2N2CCC(C(=O)NC3CC3)C(F)(F)C2)s1
InChIInChI=1S/C18H20F2N4OS/c1-11-8-22-17(26-11)13-4-6-21-9-15(13)24-7-5-14(18(19,20)10-24)16(25)23-12-2-3-12/h4,6,8-9,12,14H,2-3,5,7,10H2,1H3,(H,23,25)
InChIKeyGVRVWOGEWKCFRZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.25
Rot. Bonds4

About N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide

N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450755) has the molecular formula C18H20F2N4OS and a molecular weight of 378.45 g/mol. Its IUPAC name is N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450755
Molecular FormulaC18H20F2N4OS
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC NameN-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnc(-c2ccncc2N2CCC(C(=O)NC3CC3)C(F)(F)C2)s1
InChIInChI=1S/C18H20F2N4OS/c1-11-8-22-17(26-11)13-4-6-21-9-15(13)24-7-5-14(18(19,20)10-24)16(25)23-12-2-3-12/h4,6,8-9,12,14H,2-3,5,7,10H2,1H3,(H,23,25)
InChIKeyGVRVWOGEWKCFRZ-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 118450755) is N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide is Cc1cnc(-c2ccncc2N2CCC(C(=O)NC3CC3)C(F)(F)C2)s1.
What is the InChIKey of N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GVRVWOGEWKCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4OS/c1-11-8-22-17(26-11)13-4-6-21-9-15(13)24-7-5-14(18(19,20)10-24)16(25)23-12-2-3-12/h4,6,8-9,12,14H,2-3,5,7,10H2,1H3,(H,23,25).
What are the key properties of N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide?
N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-difluoro-1-[4-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).