5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile

C15H18N6 — CID 99848388

IUPAC5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(N2CCC[C@H](Nc3ccc(C#N)nc3)C2)cn1
InChIInChI=1S/C15H18N6/c1-20-11-15(9-18-20)21-6-2-3-14(10-21)19-13-5-4-12(7-16)17-8-13/h4-5,8-9,11,14,19H,2-3,6,10H2,1H3/t14-/m0/s1
InChIKeyDTSGEJRRYTXMFI-AWEZNQCLSA-N
MW282.35 g/mol
LogP1.77
Rot. Bonds3

About 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile

5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 99848388) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID99848388
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(N2CCC[C@H](Nc3ccc(C#N)nc3)C2)cn1
InChIInChI=1S/C15H18N6/c1-20-11-15(9-18-20)21-6-2-3-14(10-21)19-13-5-4-12(7-16)17-8-13/h4-5,8-9,11,14,19H,2-3,6,10H2,1H3/t14-/m0/s1
InChIKeyDTSGEJRRYTXMFI-AWEZNQCLSA-N
XLogP1.77
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 133330179
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
CID 133330210
5-[3-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490405
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
1-(1-methylpyrazol-4-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 133340954
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-6-nitroquinoline-4-carbonitrile
CID 133330073
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile (CID 99848388) is 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile is Cn1cc(N2CCC[C@H](Nc3ccc(C#N)nc3)C2)cn1.
What is the InChIKey of 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is DTSGEJRRYTXMFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-11-15(9-18-20)21-6-2-3-14(10-21)19-13-5-4-12(7-16)17-8-13/h4-5,8-9,11,14,19H,2-3,6,10H2,1H3/t14-/m0/s1.
What are the key properties of 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile?
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 99848388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).