methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride

C16H22ClN3O4 — CID 175749413

IUPACmethyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cccnc1C1(NC(=O)C2(N)CCOCC2)CC1.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-22-13(20)11-3-2-8-18-12(11)16(4-5-16)19-14(21)15(17)6-9-23-10-7-15;/h2-3,8H,4-7,9-10,17H2,1H3,(H,19,21);1H
InChIKeyWPDZMPKFIOIJLU-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride

methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride (PubChem CID 175749413) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride
PubChem CID175749413
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Namemethyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cccnc1C1(NC(=O)C2(N)CCOCC2)CC1.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-22-13(20)11-3-2-8-18-12(11)16(4-5-16)19-14(21)15(17)6-9-23-10-7-15;/h2-3,8H,4-7,9-10,17H2,1H3,(H,19,21);1H
InChIKeyWPDZMPKFIOIJLU-UHFFFAOYSA-N
XLogP0.90
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]benzoate
CID 175749439
4-amino-N-pyrimidin-2-yloxane-4-carboxamide
CID 115293590
4-amino-N-(2-ethoxy-3-pyridinyl)oxane-4-carboxamide
CID 115293923
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
3-amino-N-(2-ethoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64893957
3-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115293785
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
ethyl 2-[[4-(dimethylamino)oxan-4-yl]methylamino]pyridine-3-carboxylate
CID 133471175
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride (CID 175749413) is methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride is COC(=O)c1cccnc1C1(NC(=O)C2(N)CCOCC2)CC1.Cl.
What is the InChIKey of methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride?
The InChIKey is WPDZMPKFIOIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c1-22-13(20)11-3-2-8-18-12(11)16(4-5-16)19-14(21)15(17)6-9-23-10-7-15;/h2-3,8H,4-7,9-10,17H2,1H3,(H,19,21);1H.
What are the key properties of methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride?
methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 175749413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).