N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide

C17H20FN5O2 — CID 124991641

IUPACN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1
InChIInChI=1S/C17H20FN5O2/c1-12-7-20-14(9-19-12)16(24)22-10-17(25)5-2-6-23(11-17)15-4-3-13(18)8-21-15/h3-4,7-9,25H,2,5-6,10-11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyPKWWSRSPACAWIC-QGZVFWFLSA-N
MW345.38 g/mol
LogP1.08
Rot. Bonds4

About N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 124991641) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID124991641
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1
InChIInChI=1S/C17H20FN5O2/c1-12-7-20-14(9-19-12)16(24)22-10-17(25)5-2-6-23(11-17)15-4-3-13(18)8-21-15/h3-4,7-9,25H,2,5-6,10-11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyPKWWSRSPACAWIC-QGZVFWFLSA-N
XLogP1.08
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
CID 124983310
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 110124139
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110124285
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124972905
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 124944187
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 124991641) is N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)cn1.
What is the InChIKey of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is PKWWSRSPACAWIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-7-20-14(9-19-12)16(24)22-10-17(25)5-2-6-23(11-17)15-4-3-13(18)8-21-15/h3-4,7-9,25H,2,5-6,10-11H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 124991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).