methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate

C17H24N4O4 — CID 136523588

IUPACmethyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NCc2ccnc(N3CCCC3)c2)CCO1
InChIInChI=1S/C17H24N4O4/c1-24-16(22)14-12-21(8-9-25-14)17(23)19-11-13-4-5-18-15(10-13)20-6-2-3-7-20/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,19,23)
InChIKeyFLJYAMODTARFPH-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.77
Rot. Bonds4

About methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate

methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate (PubChem CID 136523588) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
PubChem CID136523588
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Namemethyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NCc2ccnc(N3CCCC3)c2)CCO1
InChIInChI=1S/C17H24N4O4/c1-24-16(22)14-12-21(8-9-25-14)17(23)19-11-13-4-5-18-15(10-13)20-6-2-3-7-20/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,19,23)
InChIKeyFLJYAMODTARFPH-UHFFFAOYSA-N
XLogP0.77
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 86898973
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
CID 114053213
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
methyl 4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
CID 79839039
(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 126447521
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate (CID 136523588) is methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)NCc2ccnc(N3CCCC3)c2)CCO1.
What is the InChIKey of methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate?
The InChIKey is FLJYAMODTARFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-24-16(22)14-12-21(8-9-25-14)17(23)19-11-13-4-5-18-15(10-13)20-6-2-3-7-20/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,19,23).
What are the key properties of methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate?
methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 136523588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).