(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine

C19H29N5O — CID 98753299

IUPAC(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H]1CN([C@H](C)CNCc2cn(C)nc2-c2ccncc2)C[C@H](C)O1
InChIInChI=1S/C19H29N5O/c1-14(24-11-15(2)25-16(3)12-24)9-21-10-18-13-23(4)22-19(18)17-5-7-20-8-6-17/h5-8,13-16,21H,9-12H2,1-4H3/t14-,15-,16+/m1/s1
InChIKeyHHPKBAUNBXVOOJ-OAGGEKHMSA-N
MW343.48 g/mol
LogP2.07
Rot. Bonds6

About (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine

(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 98753299) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID98753299
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H]1CN([C@H](C)CNCc2cn(C)nc2-c2ccncc2)C[C@H](C)O1
InChIInChI=1S/C19H29N5O/c1-14(24-11-15(2)25-16(3)12-24)9-21-10-18-13-23(4)22-19(18)17-5-7-20-8-6-17/h5-8,13-16,21H,9-12H2,1-4H3/t14-,15-,16+/m1/s1
InChIKeyHHPKBAUNBXVOOJ-OAGGEKHMSA-N
XLogP2.07
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine (CID 98753299) is (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine is C[C@@H]1CN([C@H](C)CNCc2cn(C)nc2-c2ccncc2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is HHPKBAUNBXVOOJ-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(24-11-15(2)25-16(3)12-24)9-21-10-18-13-23(4)22-19(18)17-5-7-20-8-6-17/h5-8,13-16,21H,9-12H2,1-4H3/t14-,15-,16+/m1/s1.
What are the key properties of (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 343.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 98753299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).