N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine

C17H25N5O — CID 129474127

IUPACN,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine
SMILESCN(C)c1ccncc1CN[C@@H]1CCO[C@H](c2cncn2C)C1
InChIInChI=1S/C17H25N5O/c1-21(2)15-4-6-18-9-13(15)10-20-14-5-7-23-17(8-14)16-11-19-12-22(16)3/h4,6,9,11-12,14,17,20H,5,7-8,10H2,1-3H3/t14-,17+/m1/s1
InChIKeyLJNGPSVRVZYCND-PBHICJAKSA-N
MW315.42 g/mol
LogP1.89
Rot. Bonds5

About N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine

N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine (PubChem CID 129474127) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine
PubChem CID129474127
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine
SMILESCN(C)c1ccncc1CN[C@@H]1CCO[C@H](c2cncn2C)C1
InChIInChI=1S/C17H25N5O/c1-21(2)15-4-6-18-9-13(15)10-20-14-5-7-23-17(8-14)16-11-19-12-22(16)3/h4,6,9,11-12,14,17,20H,5,7-8,10H2,1-3H3/t14-,17+/m1/s1
InChIKeyLJNGPSVRVZYCND-PBHICJAKSA-N
XLogP1.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine with MolForge

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Related Compounds

(2R,4S)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475953
(2S,4S)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475955
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
CID 129476076
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 167753178
(2R,4R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129340876
2-methoxy-5-[[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]benzonitrile
CID 129475626
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129334782
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine (CID 129474127) is N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine is CN(C)c1ccncc1CN[C@@H]1CCO[C@H](c2cncn2C)C1.
What is the InChIKey of N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine?
The InChIKey is LJNGPSVRVZYCND-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21(2)15-4-6-18-9-13(15)10-20-14-5-7-23-17(8-14)16-11-19-12-22(16)3/h4,6,9,11-12,14,17,20H,5,7-8,10H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine?
N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 1.89, 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-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine is sourced from PubChem (CID 129474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).