N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide

C21H34N4O3 — CID 130344698

IUPACN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2C(=O)N(C)C)c1
InChIInChI=1S/C21H34N4O3/c1-15-14-27-11-10-24(15)16-12-18(22-19(13-16)28-21(2,3)4)25-9-7-8-17(25)20(26)23(5)6/h12-13,15,17H,7-11,14H2,1-6H3/t15-,17?/m1/s1
InChIKeySSEVCFZZEVFOBE-LDCVWXEPSA-N
MW390.53 g/mol
LogP2.54
Rot. Bonds4

About N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 130344698) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID130344698
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2C(=O)N(C)C)c1
InChIInChI=1S/C21H34N4O3/c1-15-14-27-11-10-24(15)16-12-18(22-19(13-16)28-21(2,3)4)25-9-7-8-17(25)20(26)23(5)6/h12-13,15,17H,7-11,14H2,1-6H3/t15-,17?/m1/s1
InChIKeySSEVCFZZEVFOBE-LDCVWXEPSA-N
XLogP2.54
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 130344698) is N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide is C[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is SSEVCFZZEVFOBE-LDCVWXEPSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15-14-27-11-10-24(15)16-12-18(22-19(13-16)28-21(2,3)4)25-9-7-8-17(25)20(26)23(5)6/h12-13,15,17H,7-11,14H2,1-6H3/t15-,17?/m1/s1.
What are the key properties of N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 130344698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).