N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine

C16H23N5 — CID 110257105

IUPACN-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCNc1cccc(C2CCCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C16H23N5/c1-17-15-7-3-6-14(19-15)13-5-4-9-21(11-13)12-16-18-8-10-20(16)2/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,17,19)
InChIKeyPSHCBOHCJYWDCH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine

N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine (PubChem CID 110257105) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
PubChem CID110257105
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCNc1cccc(C2CCCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C16H23N5/c1-17-15-7-3-6-14(19-15)13-5-4-9-21(11-13)12-16-18-8-10-20(16)2/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,17,19)
InChIKeyPSHCBOHCJYWDCH-UHFFFAOYSA-N
XLogP2.24
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 110111464
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine (CID 110257105) is N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine is CNc1cccc(C2CCCN(Cc3nccn3C)C2)n1.
What is the InChIKey of N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The InChIKey is PSHCBOHCJYWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-17-15-7-3-6-14(19-15)13-5-4-9-21(11-13)12-16-18-8-10-20(16)2/h3,6-8,10,13H,4-5,9,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 110257105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).