4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile

C19H24N6 — CID 167892074

IUPAC4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
SMILESCn1nccc1[C@H]1[C@H](CNc2ccnc(C#N)c2)CCCN1C1CC1
InChIInChI=1S/C19H24N6/c1-24-18(7-9-23-24)19-14(3-2-10-25(19)17-4-5-17)13-22-15-6-8-21-16(11-15)12-20/h6-9,11,14,17,19H,2-5,10,13H2,1H3,(H,21,22)/t14-,19+/m0/s1
InChIKeyHVWREQQMFQJPJD-IFXJQAMLSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds5

About 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile

4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 167892074) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
PubChem CID167892074
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
SMILESCn1nccc1[C@H]1[C@H](CNc2ccnc(C#N)c2)CCCN1C1CC1
InChIInChI=1S/C19H24N6/c1-24-18(7-9-23-24)19-14(3-2-10-25(19)17-4-5-17)13-22-15-6-8-21-16(11-15)12-20/h6-9,11,14,17,19H,2-5,10,13H2,1H3,(H,21,22)/t14-,19+/m0/s1
InChIKeyHVWREQQMFQJPJD-IFXJQAMLSA-N
XLogP2.71
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile with MolForge

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Related Compounds

2-cyano-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 128984602
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
CID 128984974
1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114554500
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 154795631
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 128989386
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)pyridine-2-carbonitrile
CID 79071619
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 128981757

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile (CID 167892074) is 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile is Cn1nccc1[C@H]1[C@H](CNc2ccnc(C#N)c2)CCCN1C1CC1.
What is the InChIKey of 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is HVWREQQMFQJPJD-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H24N6/c1-24-18(7-9-23-24)19-14(3-2-10-25(19)17-4-5-17)13-22-15-6-8-21-16(11-15)12-20/h6-9,11,14,17,19H,2-5,10,13H2,1H3,(H,21,22)/t14-,19+/m0/s1.
What are the key properties of 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile?
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 167892074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).