N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine

C18H27N5O — CID 154761418

IUPACN,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
SMILESCN(C)c1cccnc1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O/c1-22(2)17-7-4-8-20-16(17)12-19-10-14-6-5-9-24-18(14)15-11-21-23(3)13-15/h4,7-8,11,13-14,18-19H,5-6,9-10,12H2,1-3H3/t14-,18+/m0/s1
InChIKeyWMGAAMSTUYYDFT-KBXCAEBGSA-N
MW329.45 g/mol
LogP2.14
Rot. Bonds6

About N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine

N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine (PubChem CID 154761418) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
PubChem CID154761418
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
SMILESCN(C)c1cccnc1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H27N5O/c1-22(2)17-7-4-8-20-16(17)12-19-10-14-6-5-9-24-18(14)15-11-21-23(3)13-15/h4,7-8,11,13-14,18-19H,5-6,9-10,12H2,1-3H3/t14-,18+/m0/s1
InChIKeyWMGAAMSTUYYDFT-KBXCAEBGSA-N
XLogP2.14
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine with MolForge

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Related Compounds

N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
CID 154761200
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 71929280
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine (CID 154761418) is N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine is CN(C)c1cccnc1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine?
The InChIKey is WMGAAMSTUYYDFT-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22(2)17-7-4-8-20-16(17)12-19-10-14-6-5-9-24-18(14)15-11-21-23(3)13-15/h4,7-8,11,13-14,18-19H,5-6,9-10,12H2,1-3H3/t14-,18+/m0/s1.
What are the key properties of N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine?
N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine is sourced from PubChem (CID 154761418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).