2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile

C17H19N5 — CID 125142174

IUPAC2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCc1cccc(NC[C@@H]2CCN(c3cc(C#N)ccn3)C2)n1
InChIInChI=1S/C17H19N5/c1-13-3-2-4-16(21-13)20-11-15-6-8-22(12-15)17-9-14(10-18)5-7-19-17/h2-5,7,9,15H,6,8,11-12H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyDYOFJYQSKYCDME-HNNXBMFYSA-N
MW293.37 g/mol
LogP2.60
Rot. Bonds4

About 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile

2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 125142174) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID125142174
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCc1cccc(NC[C@@H]2CCN(c3cc(C#N)ccn3)C2)n1
InChIInChI=1S/C17H19N5/c1-13-3-2-4-16(21-13)20-11-15-6-8-22(12-15)17-9-14(10-18)5-7-19-17/h2-5,7,9,15H,6,8,11-12H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyDYOFJYQSKYCDME-HNNXBMFYSA-N
XLogP2.60
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

6-methyl-N-[[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 97351953
6-methyl-N-[[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 75455220
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142212
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142211
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
6-methyl-N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99698892
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 125142174) is 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile is Cc1cccc(NC[C@@H]2CCN(c3cc(C#N)ccn3)C2)n1.
What is the InChIKey of 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is DYOFJYQSKYCDME-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-3-2-4-16(21-13)20-11-15-6-8-22(12-15)17-9-14(10-18)5-7-19-17/h2-5,7,9,15H,6,8,11-12H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile?
2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 125142174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).