N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine

C22H32N6 — CID 110260485

IUPACN,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESCc1cc(N2CCN(Cc3cccnc3N(C)C)CC2)cc(C2CCCN2)n1
InChIInChI=1S/C22H32N6/c1-17-14-19(15-21(25-17)20-7-5-8-23-20)28-12-10-27(11-13-28)16-18-6-4-9-24-22(18)26(2)3/h4,6,9,14-15,20,23H,5,7-8,10-13,16H2,1-3H3
InChIKeyTWQPHEVRASXERQ-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.60
Rot. Bonds5

About N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine

N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 110260485) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID110260485
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
SMILESCc1cc(N2CCN(Cc3cccnc3N(C)C)CC2)cc(C2CCCN2)n1
InChIInChI=1S/C22H32N6/c1-17-14-19(15-21(25-17)20-7-5-8-23-20)28-12-10-27(11-13-28)16-18-6-4-9-24-22(18)26(2)3/h4,6,9,14-15,20,23H,5,7-8,10-13,16H2,1-3H3
InChIKeyTWQPHEVRASXERQ-UHFFFAOYSA-N
XLogP2.60
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619631
1-(2-methylpropyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619861
1-(benzenesulfonyl)-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619879
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
CID 92619675
1-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110260458
(2-methoxyphenyl)-[4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methanone
CID 92619877
2-[(3S)-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-6-methylpyridin-4-amine
CID 125011716
3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 92626591
2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
CID 142548977
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964
4-[3-methyl-4-[[3-[(2S)-pyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl]phenyl]morpholine
CID 92622325

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine (CID 110260485) is N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine is Cc1cc(N2CCN(Cc3cccnc3N(C)C)CC2)cc(C2CCCN2)n1.
What is the InChIKey of N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is TWQPHEVRASXERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-17-14-19(15-21(25-17)20-7-5-8-23-20)28-12-10-27(11-13-28)16-18-6-4-9-24-22(18)26(2)3/h4,6,9,14-15,20,23H,5,7-8,10-13,16H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine?
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 110260485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).