2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C18H21N5 — CID 95980423

IUPAC2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncccc1C#N
InChIInChI=1S/C18H21N5/c1-14-12-23(13-16-6-2-3-8-20-16)10-7-17(14)22-18-15(11-19)5-4-9-21-18/h2-6,8-9,14,17H,7,10,12-13H2,1H3,(H,21,22)/t14-,17-/m0/s1
InChIKeyXGGQGEOVFNGGCF-YOEHRIQHSA-N
MW307.40 g/mol
LogP2.67
Rot. Bonds4

About 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 95980423) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID95980423
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncccc1C#N
InChIInChI=1S/C18H21N5/c1-14-12-23(13-16-6-2-3-8-20-16)10-7-17(14)22-18-15(11-19)5-4-9-21-18/h2-6,8-9,14,17H,7,10,12-13H2,1H3,(H,21,22)/t14-,17-/m0/s1
InChIKeyXGGQGEOVFNGGCF-YOEHRIQHSA-N
XLogP2.67
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 98768835
2-fluoro-6-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 95980421
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 124735936
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
8-fluoro-2-methyl-N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]quinolin-4-amine
CID 133393992
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124864799
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 95980423) is 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ncccc1C#N.
What is the InChIKey of 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is XGGQGEOVFNGGCF-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-12-23(13-16-6-2-3-8-20-16)10-7-17(14)22-18-15(11-19)5-4-9-21-18/h2-6,8-9,14,17H,7,10,12-13H2,1H3,(H,21,22)/t14-,17-/m0/s1.
What are the key properties of 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 95980423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).