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

C16H23N5 — CID 127244780

IUPACN,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
SMILESCN(C)c1cc(C2CCCN2Cc2cncn2C)ccn1
InChIInChI=1S/C16H23N5/c1-19(2)16-9-13(6-7-18-16)15-5-4-8-21(15)11-14-10-17-12-20(14)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyDNASGFXURPADIX-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.22
Rot. Bonds4

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

N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 127244780) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
PubChem CID127244780
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
SMILESCN(C)c1cc(C2CCCN2Cc2cncn2C)ccn1
InChIInChI=1S/C16H23N5/c1-19(2)16-9-13(6-7-18-16)15-5-4-8-21(15)11-14-10-17-12-20(14)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyDNASGFXURPADIX-UHFFFAOYSA-N
XLogP2.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946260
N-[4-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124946261
N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 124973491
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
1-[4-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 125005812
6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124998212
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 77079706
N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125008778
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
CID 127246771
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246800
N-[[4-[(2S)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986875

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine (CID 127244780) is N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine is CN(C)c1cc(C2CCCN2Cc2cncn2C)ccn1.
What is the InChIKey of N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is DNASGFXURPADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-19(2)16-9-13(6-7-18-16)15-5-4-8-21(15)11-14-10-17-12-20(14)3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine?
N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 127244780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).