N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine

C14H22N4 — CID 80827880

IUPACN-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4/c1-15-13-5-4-6-14(16-13)18-10-7-12(11-18)17-8-2-3-9-17/h4-6,12H,2-3,7-11H2,1H3,(H,15,16)
InChIKeyKDMQKHKRDQZJMY-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine

N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine (PubChem CID 80827880) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
PubChem CID80827880
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4/c1-15-13-5-4-6-14(16-13)18-10-7-12(11-18)17-8-2-3-9-17/h4-6,12H,2-3,7-11H2,1H3,(H,15,16)
InChIKeyKDMQKHKRDQZJMY-UHFFFAOYSA-N
XLogP1.80
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63169196
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
1-[6-(methylamino)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106674459
N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine
CID 80837563
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516
1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63169284
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
CID 80835819
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79924667
2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 63587650
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
CID 80843359

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine (CID 80827880) is N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine is CNc1cccc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine?
The InChIKey is KDMQKHKRDQZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-13-5-4-6-14(16-13)18-10-7-12(11-18)17-8-2-3-9-17/h4-6,12H,2-3,7-11H2,1H3,(H,15,16).
What are the key properties of N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine?
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 80827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).