N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine

C16H23N5 — CID 124997573

IUPACN-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@@H]2CCCN(Cc3nccn3C)C2)ccn1
InChIInChI=1S/C16H23N5/c1-17-15-10-13(5-6-18-15)14-4-3-8-21(11-14)12-16-19-7-9-20(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyRBEMAZTVVMMVIQ-CQSZACIVSA-N
MW285.39 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine

N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine (PubChem CID 124997573) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
PubChem CID124997573
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@@H]2CCCN(Cc3nccn3C)C2)ccn1
InChIInChI=1S/C16H23N5/c1-17-15-10-13(5-6-18-15)14-4-3-8-21(11-14)12-16-19-7-9-20(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyRBEMAZTVVMMVIQ-CQSZACIVSA-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

Analyze N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105848
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
CID 110111465
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine (CID 124997573) is N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine is CNc1cc([C@@H]2CCCN(Cc3nccn3C)C2)ccn1.
What is the InChIKey of N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The InChIKey is RBEMAZTVVMMVIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5/c1-17-15-10-13(5-6-18-15)14-4-3-8-21(11-14)12-16-19-7-9-20(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine?
N-methyl-4-[(3S)-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-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 124997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).