N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine

C16H21N5 — CID 95846016

IUPACN-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C16H21N5/c1-17-16-14(4-2-6-20-16)12-21-9-3-5-13(11-21)15-10-18-7-8-19-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyXLBFYMMUMRQEEQ-ZDUSSCGKSA-N
MW283.38 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine

N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 95846016) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
PubChem CID95846016
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C16H21N5/c1-17-16-14(4-2-6-20-16)12-21-9-3-5-13(11-21)15-10-18-7-8-19-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyXLBFYMMUMRQEEQ-ZDUSSCGKSA-N
XLogP2.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806723
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766199
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 110100236
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine (CID 95846016) is N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine is CNc1ncccc1CN1CCC[C@H](c2cnccn2)C1.
What is the InChIKey of N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is XLBFYMMUMRQEEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5/c1-17-16-14(4-2-6-20-16)12-21-9-3-5-13(11-21)15-10-18-7-8-19-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine?
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).